CID 65468

Azipramine hydrochloride

Structural Information

Molecular Formula
C26H26N2
SMILES
CN(CCC1=CC2=C3N1C4=CC=CC=C4CCC3=CC=C2)CC5=CC=CC=C5
InChI
InChI=1S/C26H26N2/c1-27(19-20-8-3-2-4-9-20)17-16-24-18-23-12-7-11-22-15-14-21-10-5-6-13-25(21)28(24)26(22)23/h2-13,18H,14-17,19H2,1H3
InChIKey
GMJAPDJBIOQXSW-UHFFFAOYSA-N
Compound name
2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)-N-benzyl-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

321
Patents

366.2096 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21688 191.0
[M+Na]+ 389.19882 205.4
[M+NH4]+ 384.24342 200.7
[M+K]+ 405.17276 197.2
[M-H]- 365.20232 197.7
[M+Na-2H]- 387.18427 198.9
[M]+ 366.20905 195.3
[M]- 366.21015 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe