CID 29380

19007-33-1

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CC1CN2CCN(C3=C(C2C4=CC=CC=C14)C=C(C=C3)Cl)C
InChI
InChI=1S/C19H21ClN2/c1-13-12-22-10-9-21(2)18-8-7-14(20)11-17(18)19(22)16-6-4-3-5-15(13)16/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKey
KXMDXMHGFNNKDP-UHFFFAOYSA-N
Compound name
2-chloro-5,10-dimethyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1393 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14658 172.1
[M+Na]+ 335.12852 186.9
[M+NH4]+ 330.17312 181.9
[M+K]+ 351.10246 178.2
[M-H]- 311.13202 176.2
[M+Na-2H]- 333.11397 177.5
[M]+ 312.13875 176.0
[M]- 312.13985 176.0
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.