PubChemLite - Salvianan c (C25H19NO2)

Structural Information

Molecular Formula

SMILES

C[C@H]1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)C)N=C(O3)C6=CC=CC=C6

InChI

InChI=1S/C25H19NO2/c1-14-7-6-10-18-17(14)11-12-19-21(18)22-24(20-15(2)13-27-23(19)20)28-25(26-22)16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3/t15-/m0/s1

InChIKey

RQFZKQDNKLSFNI-HNNXBMFYSA-N

Compound name

(5R)-5,17-dimethyl-9-phenyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-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]+	366.14885	187.1
[M+Na]+	388.13079	200.4
[M-H]-	364.13429	199.3
[M+NH4]+	383.17539	203.6
[M+K]+	404.10473	195.0
[M+H-H2O]+	348.13883	179.3
[M+HCOO]-	410.13977	206.2
[M+CH3COO]-	424.15542	199.7
[M+Na-2H]-	386.11624	190.8
[M]+	365.14102	194.3
[M]-	365.14212	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.14885

187.1

[M+Na]+

388.13079

200.4

[M-H]-

364.13429

199.3

[M+NH4]+

383.17539

203.6

[M+K]+

404.10473

195.0

[M+H-H2O]+

348.13883

179.3

[M+HCOO]-

410.13977

206.2

[M+CH3COO]-

424.15542

199.7

[M+Na-2H]-

386.11624

190.8

[M]+

365.14102

194.3

[M]-

365.14212

194.3

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

Salvianan c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe