CID 248750

4,7,8-trimethyl-1,3-dihydro-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=NC2=C(C=C(C(=C2)C)C)NC(=O)C1
InChI
InChI=1S/C12H14N2O/c1-7-4-10-11(5-8(7)2)14-12(15)6-9(3)13-10/h4-5H,6H2,1-3H3,(H,14,15)
InChIKey
IDDCWQJUWJCXKM-UHFFFAOYSA-N
Compound name
4,7,8-trimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 141.5
[M+Na]+ 225.09983 150.3
[M-H]- 201.10333 144.1
[M+NH4]+ 220.14443 158.2
[M+K]+ 241.07377 150.6
[M+H-H2O]+ 185.10787 135.1
[M+HCOO]- 247.10881 159.4
[M+CH3COO]- 261.12446 188.1
[M+Na-2H]- 223.08528 146.9
[M]+ 202.11006 138.4
[M]- 202.11116 138.4
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.