CID 377440

Nsc658893

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CCN1C2=C(C(=N1)C)NC(=O)C(NC2=O)C
InChI
InChI=1S/C10H14N4O2/c1-4-14-8-7(5(2)13-14)12-9(15)6(3)11-10(8)16/h6H,4H2,1-3H3,(H,11,16)(H,12,15)
InChIKey
RQNHVUFILDKNCT-UHFFFAOYSA-N
Compound name
1-ethyl-3,6-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-e][1,4]diazepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 149.7
[M+Na]+ 245.10090 158.9
[M-H]- 221.10440 148.8
[M+NH4]+ 240.14550 164.0
[M+K]+ 261.07484 158.4
[M+H-H2O]+ 205.10894 140.9
[M+HCOO]- 267.10988 163.8
[M+CH3COO]- 281.12553 188.5
[M+Na-2H]- 243.08635 150.9
[M]+ 222.11113 145.5
[M]- 222.11223 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.