CID 363269

Nsc628051

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CCCN1C(=O)CNC(=O)C2=C1N=CN2
InChI
InChI=1S/C9H12N4O2/c1-2-3-13-6(14)4-10-9(15)7-8(13)12-5-11-7/h5H,2-4H2,1H3,(H,10,15)(H,11,12)
InChIKey
DJDLYCZLNSHLER-UHFFFAOYSA-N
Compound name
4-propyl-6,7-dihydro-1H-imidazo[4,5-e][1,4]diazepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.09602 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 144.9
[M+Na]+ 231.08524 152.8
[M-H]- 207.08874 143.3
[M+NH4]+ 226.12984 159.1
[M+K]+ 247.05918 152.3
[M+H-H2O]+ 191.09328 135.5
[M+HCOO]- 253.09422 159.3
[M+CH3COO]- 267.10987 183.3
[M+Na-2H]- 229.07069 147.9
[M]+ 208.09547 139.5
[M]- 208.09657 139.5
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.