CID 36034

32038-67-8

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CN(C)CCCN1C2=CC=CC=C2NC(=O)C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H20ClN3O/c1-21(2)10-5-11-22-16-7-4-3-6-15(16)20-18(23)14-9-8-13(19)12-17(14)22/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,20,23)
InChIKey
BJLTVCAEXRWEGY-UHFFFAOYSA-N
Compound name
9-chloro-11-[3-(dimethylamino)propyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.1295 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 174.1
[M+Na]+ 352.11872 186.7
[M+NH4]+ 347.16332 181.5
[M+K]+ 368.09266 179.7
[M-H]- 328.12222 176.7
[M+Na-2H]- 350.10417 179.3
[M]+ 329.12895 177.0
[M]- 329.13005 177.0
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.