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]+ 234.123696 148.8
[M+Na]+ 256.105638 156.0
[M-H]- 232.109144 152.4
[M+NH4]+ 251.150243 164.3
[M+K]+ 272.079578 158.1
[M+H-H2O]+ 216.113680 141.3
[M+HCOO]- 278.114621 167.1
[M+CH3COO]- 292.130271 197.6
[M+Na-2H]- 254.091086 153.0
[M]+ 233.11587142 145.5
[M]- 233.11696858 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.