CID 162345006

Ns00133054

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CN1C(=O)CN=C(C2=CC(=C(C=C21)O)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O2/c1-19-13-8-14(20)12(17)7-11(13)16(18-9-15(19)21)10-5-3-2-4-6-10/h2-8,20H,9H2,1H3
InChIKey
ABVANYQDMAXVGX-UHFFFAOYSA-N
Compound name
7-chloro-8-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.073836 165.7
[M+Na]+ 323.055778 176.5
[M-H]- 299.059284 171.1
[M+NH4]+ 318.100383 179.4
[M+K]+ 339.029718 174.8
[M+H-H2O]+ 283.063820 157.8
[M+HCOO]- 345.064761 179.5
[M+CH3COO]- 359.080411 177.0
[M+Na-2H]- 321.041226 170.1
[M]+ 300.06601142 165.2
[M]- 300.06710858 165.2
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.