CID 14728

1248-22-2

Structural Information

Molecular Formula
C22H26ClN3O
SMILES
CCN(CC)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C22H26ClN3O/c1-3-25(4-2)13-8-14-26-20-12-11-18(23)15-19(20)22(24-16-21(26)27)17-9-6-5-7-10-17/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3
InChIKey
RSBJJFCYTYWDLH-UHFFFAOYSA-N
Compound name
7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.17645 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18373 192.7
[M+Na]+ 406.16567 199.9
[M-H]- 382.16917 199.0
[M+NH4]+ 401.21027 203.7
[M+K]+ 422.13961 198.1
[M+H-H2O]+ 366.17371 182.4
[M+HCOO]- 428.17465 207.1
[M+CH3COO]- 442.19030 225.7
[M+Na-2H]- 404.15112 194.8
[M]+ 383.17590 194.5
[M]- 383.17700 194.5
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

patents stripe