CID 377035

Nsc658252

Structural Information

Molecular Formula
C13H17N7O6
SMILES
CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C(=O)N)C(=O)NNC(=O)C(=O)N
InChI
InChI=1S/C13H17N7O6/c1-4-6(10(23)17-19-12(25)8(14)21)3-7(5(2)16-4)11(24)18-20-13(26)9(15)22/h16H,3H2,1-2H3,(H2,14,21)(H2,15,22)(H,17,23)(H,18,24)(H,19,25)(H,20,26)
InChIKey
JCIZQUPIWRPYJT-UHFFFAOYSA-N
Compound name
2-[2-[2,6-dimethyl-5-[(oxamoylamino)carbamoyl]-1,4-dihydropyridine-3-carbonyl]hydrazinyl]-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.12402 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13130 182.2
[M+Na]+ 390.11324 183.9
[M-H]- 366.11674 182.7
[M+NH4]+ 385.15784 189.7
[M+K]+ 406.08718 184.9
[M+H-H2O]+ 350.12128 173.2
[M+HCOO]- 412.12222 202.4
[M+CH3COO]- 426.13787 229.1
[M+Na-2H]- 388.09869 178.5
[M]+ 367.12347 175.3
[M]- 367.12457 175.3
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.