CID 362127

Nsc625660

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CN1CC(=O)N(C2=C(C1=O)NC=N2)C
InChI
InChI=1S/C8H10N4O2/c1-11-3-5(13)12(2)7-6(8(11)14)9-4-10-7/h4H,3H2,1-2H3,(H,9,10)
InChIKey
QXKVHCBHBWVMLE-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.08037 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 139.5
[M+Na]+ 217.06959 149.1
[M-H]- 193.07309 139.7
[M+NH4]+ 212.11419 155.3
[M+K]+ 233.04353 149.6
[M+H-H2O]+ 177.07763 130.5
[M+HCOO]- 239.07857 155.7
[M+CH3COO]- 253.09422 184.0
[M+Na-2H]- 215.05504 142.9
[M]+ 194.07982 136.0
[M]- 194.08092 136.0
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.