CID 363433

Nsc628344

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC1=CC2=C(C=C1)NC(=O)CN(C2=O)N(C)C
InChI
InChI=1S/C12H15N3O2/c1-8-4-5-10-9(6-8)12(17)15(14(2)3)7-11(16)13-10/h4-6H,7H2,1-3H3,(H,13,16)
InChIKey
GFHXEWXBDZZGAU-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-7-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 148.8
[M+Na]+ 256.10564 156.0
[M-H]- 232.10914 152.4
[M+NH4]+ 251.15024 164.3
[M+K]+ 272.07958 158.1
[M+H-H2O]+ 216.11368 141.3
[M+HCOO]- 278.11462 167.1
[M+CH3COO]- 292.13027 197.6
[M+Na-2H]- 254.09109 153.0
[M]+ 233.11587 145.5
[M]- 233.11697 145.5
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.