CID 53506

76458-47-4

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=NC1O)C3=CC=CC=C3
InChI
InChI=1S/C17H16ClN3O/c1-21(2)16-17(22)20-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,17,22H,1-2H3
InChIKey
PTHJLUZPRXMVTP-UHFFFAOYSA-N
Compound name
7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09818 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10546 171.1
[M+Na]+ 336.08740 185.6
[M+NH4]+ 331.13200 178.9
[M+K]+ 352.06134 178.6
[M-H]- 312.09090 175.7
[M+Na-2H]- 334.07285 179.7
[M]+ 313.09763 174.9
[M]- 313.09873 174.9
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.