CID 59833

3-methyl-4-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-1-carbaldehyde

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1CN(C2=CC=CC=C2NC1=O)C=O
InChI
InChI=1S/C11H12N2O2/c1-8-6-13(7-14)10-5-3-2-4-9(10)12-11(8)15/h2-5,7-8H,6H2,1H3,(H,12,15)
InChIKey
FKIQEBMKCDEDBS-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.2
[M+Na]+ 227.07909 152.9
[M+NH4]+ 222.12369 148.7
[M+K]+ 243.05303 148.5
[M-H]- 203.08259 142.4
[M+Na-2H]- 225.06454 146.7
[M]+ 204.08932 143.6
[M]- 204.09042 143.6
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.