PubChemLite - Methoxy(pentoxy)[?] (C24H26NO4)

Structural Information

Molecular Formula

SMILES

CCCCCOC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)OC

InChI

InChI=1S/C24H26NO4/c1-3-4-5-10-27-24-19-14-25-9-8-17-12-22-23(29-15-28-22)13-18(17)20(25)11-16(19)6-7-21(24)26-2/h6-7,11-14H,3-5,8-10,15H2,1-2H3/q+1

InChIKey

QPJKBABGLJDUQY-UHFFFAOYSA-N

Compound name

17-methoxy-16-pentoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	393.19348	196.9
[M+Na]+	415.17542	204.2
[M-H]-	391.17892	203.5
[M+NH4]+	410.22002	209.5
[M+K]+	431.14936	195.6
[M+H-H2O]+	375.18346	189.9
[M+HCOO]-	437.18440	209.7
[M+CH3COO]-	451.20005	218.2
[M+Na-2H]-	413.16087	203.2
[M]+	392.18565	202.0
[M]-	392.18675	202.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

393.19348

196.9

[M+Na]+

415.17542

204.2

[M-H]-

391.17892

203.5

[M+NH4]+

410.22002

209.5

[M+K]+

431.14936

195.6

[M+H-H2O]+

375.18346

189.9

[M+HCOO]-

437.18440

209.7

[M+CH3COO]-

451.20005

218.2

[M+Na-2H]-

413.16087

203.2

[M]+

392.18565

202.0

[M]-

392.18675

202.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Methoxy(pentoxy)[?]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe