CID 377438

Nsc658891

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CC1=NN(C2=C1C(=O)N(CC(=O)N2C)C)C
InChI
InChI=1S/C10H14N4O2/c1-6-8-9(14(4)11-6)13(3)7(15)5-12(2)10(8)16/h5H2,1-4H3
InChIKey
DGXZMTNZDDJDDN-UHFFFAOYSA-N
Compound name
1,3,5,8-tetramethyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 146.6
[M+Na]+ 245.10090 157.6
[M-H]- 221.10440 148.5
[M+NH4]+ 240.14550 162.5
[M+K]+ 261.07484 158.4
[M+H-H2O]+ 205.10894 137.8
[M+HCOO]- 267.10988 163.5
[M+CH3COO]- 281.12553 194.3
[M+Na-2H]- 243.08635 148.2
[M]+ 222.11113 146.2
[M]- 222.11223 146.2
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.