CID 453358

133627-36-8

Structural Information

Molecular Formula
C15H14N2O
SMILES
CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)C
InChI
InChI=1S/C15H14N2O/c1-16-12-8-4-3-7-11(12)15(18)17(2)14-10-6-5-9-13(14)16/h3-10H,1-2H3
InChIKey
LDLKWBJEWKXLON-UHFFFAOYSA-N
Compound name
5,11-dimethylbenzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

238.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 151.8
[M+Na]+ 261.09983 161.5
[M-H]- 237.10333 156.5
[M+NH4]+ 256.14443 168.7
[M+K]+ 277.07377 160.6
[M+H-H2O]+ 221.10787 144.8
[M+HCOO]- 283.10881 170.0
[M+CH3COO]- 297.12446 164.0
[M+Na-2H]- 259.08528 158.9
[M]+ 238.11006 150.2
[M]- 238.11116 150.2
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.