CID 29379

19007-32-0

Structural Information

Molecular Formula
C17H17ClN2
SMILES
C1CN2CCNC3=C(C2C4=CC=CC=C41)C=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2/c18-13-5-6-16-15(11-13)17-14-4-2-1-3-12(14)7-9-20(17)10-8-19-16/h1-6,11,17,19H,7-10H2
InChIKey
QEJZOIHNIMSMLV-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,9,10,14b-hexahydroisoquinolino[2,1-d][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10803 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11531 162.6
[M+Na]+ 307.09725 171.1
[M-H]- 283.10075 165.1
[M+NH4]+ 302.14185 178.3
[M+K]+ 323.07119 166.5
[M+H-H2O]+ 267.10529 155.0
[M+HCOO]- 329.10623 171.2
[M+CH3COO]- 343.12188 172.3
[M+Na-2H]- 305.08270 169.3
[M]+ 284.10748 157.0
[M]- 284.10858 157.0
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.