CID 14408

1163-08-2

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CC(CN1C2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C1=O)N(C)C
InChI
InChI=1S/C18H20ClN3O/c1-12(21(2)3)11-22-17-9-8-13(19)10-16(17)20-15-7-5-4-6-14(15)18(22)23/h4-10,12,20H,11H2,1-3H3
InChIKey
QXPFLMFCMKJVLJ-UHFFFAOYSA-N
Compound name
2-chloro-5-[2-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1295 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 173.4
[M+Na]+ 352.11872 185.7
[M+NH4]+ 347.16332 180.8
[M+K]+ 368.09266 179.5
[M-H]- 328.12222 175.9
[M+Na-2H]- 350.10417 178.4
[M]+ 329.12895 176.2
[M]- 329.13005 176.2
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.