CID 5156496

16442-58-3

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1C(NC2=CC=CC=C2NC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2O/c18-15-10-14(11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)17-15/h1-9,14,16H,10H2,(H,17,18)
InChIKey
BPBSKHLEGJWMBO-UHFFFAOYSA-N
Compound name
2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.9
[M+Na]+ 261.09983 159.8
[M-H]- 237.10333 157.1
[M+NH4]+ 256.14443 167.4
[M+K]+ 277.07377 157.8
[M+H-H2O]+ 221.10787 146.2
[M+HCOO]- 283.10881 169.4
[M+CH3COO]- 297.12446 163.8
[M+Na-2H]- 259.08528 159.8
[M]+ 238.11006 145.5
[M]- 238.11116 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe