CID 3061121

78679-16-0

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1CC(=O)N(C2=CC=CC=C2N1C)C
InChI
InChI=1S/C12H16N2O/c1-9-8-12(15)14(3)11-7-5-4-6-10(11)13(9)2/h4-7,9H,8H2,1-3H3
InChIKey
XFVPEPYIFNNMHP-UHFFFAOYSA-N
Compound name
1,2,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 143.8
[M+Na]+ 227.11549 155.5
[M+NH4]+ 222.16009 151.3
[M+K]+ 243.08943 150.5
[M-H]- 203.11899 145.3
[M+Na-2H]- 225.10094 149.0
[M]+ 204.12572 145.9
[M]- 204.12682 145.9
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.