CID 21821940

7-methoxy-4,5-dihydro-1h-benzo[b][1,4]diazepin-2(3h)-one

Structural Information

Molecular Formula
C10H12N2O2
SMILES
COC1=CC2=C(C=C1)NC(=O)CCN2
InChI
InChI=1S/C10H12N2O2/c1-14-7-2-3-8-9(6-7)11-5-4-10(13)12-8/h2-3,6,11H,4-5H2,1H3,(H,12,13)
InChIKey
TWKQUQLHTDKRPV-UHFFFAOYSA-N
Compound name
7-methoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 138.3
[M+Na]+ 215.07909 144.6
[M-H]- 191.08259 138.7
[M+NH4]+ 210.12369 153.9
[M+K]+ 231.05303 145.1
[M+H-H2O]+ 175.08713 131.6
[M+HCOO]- 237.08807 154.2
[M+CH3COO]- 251.10372 149.2
[M+Na-2H]- 213.06454 144.6
[M]+ 192.08932 132.0
[M]- 192.09042 132.0
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.