CID 205841

18818-61-6

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
C1CC1CN2C3=C(C=C(C=C3)Cl)C(=NC(C2=O)O)C4=CC=CC=C4
InChI
InChI=1S/C19H17ClN2O2/c20-14-8-9-16-15(10-14)17(13-4-2-1-3-5-13)21-18(23)19(24)22(16)11-12-6-7-12/h1-5,8-10,12,18,23H,6-7,11H2
InChIKey
SYUMLTUHTWFDGE-UHFFFAOYSA-N
Compound name
7-chloro-1-(cyclopropylmethyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 176.2
[M+Na]+ 363.08709 186.5
[M-H]- 339.09059 183.8
[M+NH4]+ 358.13169 183.5
[M+K]+ 379.06103 183.6
[M+H-H2O]+ 323.09513 167.5
[M+HCOO]- 385.09607 189.6
[M+CH3COO]- 399.11172 185.9
[M+Na-2H]- 361.07254 179.0
[M]+ 340.09732 177.2
[M]- 340.09842 177.2
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

patents stripe