CID 305286

Nsc202050

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2O/c1-9-6-7-12-13(8-9)15-11-5-3-2-4-10(11)14(17)16-12/h2-8,15H,1H3,(H,16,17)
InChIKey
CWCSBXJIGXAWCB-UHFFFAOYSA-N
Compound name
2-methyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.6
[M+Na]+ 247.08418 157.0
[M-H]- 223.08768 150.5
[M+NH4]+ 242.12878 164.4
[M+K]+ 263.05812 154.9
[M+H-H2O]+ 207.09222 142.2
[M+HCOO]- 269.09316 164.3
[M+CH3COO]- 283.10881 159.6
[M+Na-2H]- 245.06963 156.1
[M]+ 224.09441 143.0
[M]- 224.09551 143.0
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.