CID 362128

Nsc625661

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CN1CC(=O)N(C2=C(C1=O)N(C=N2)CC3=CC=CC=C3)C
InChI
InChI=1S/C15H16N4O2/c1-17-9-12(20)18(2)14-13(15(17)21)19(10-16-14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
STFRRLZKHLYUIY-UHFFFAOYSA-N
Compound name
1-benzyl-4,7-dimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

284.12732 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 166.0
[M+Na]+ 307.11654 175.5
[M-H]- 283.12004 170.4
[M+NH4]+ 302.16114 178.9
[M+K]+ 323.09048 174.5
[M+H-H2O]+ 267.12458 155.5
[M+HCOO]- 329.12552 182.7
[M+CH3COO]- 343.14117 176.7
[M+Na-2H]- 305.10199 167.6
[M]+ 284.12677 164.5
[M]- 284.12787 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.