CID 13180188

90358-77-3

Structural Information

Molecular Formula
C25H25N3O
SMILES
CN(C)CCN1C2=CC=CC=C2C3C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5
InChI
InChI=1S/C25H25N3O/c1-27(2)16-17-28-21-14-8-6-12-19(21)23-24(18-10-4-3-5-11-18)26-29-25(23)20-13-7-9-15-22(20)28/h3-15,23,25H,16-17H2,1-2H3
InChIKey
GKJFUEIAWMRNEL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.19977 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20705 195.8
[M+Na]+ 406.18899 203.2
[M-H]- 382.19249 205.4
[M+NH4]+ 401.23359 207.9
[M+K]+ 422.16293 201.0
[M+H-H2O]+ 366.19703 186.4
[M+HCOO]- 428.19797 212.6
[M+CH3COO]- 442.21362 205.1
[M+Na-2H]- 404.17444 199.3
[M]+ 383.19922 195.9
[M]- 383.20032 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.