CID 376623

Nsc657653

Structural Information

Molecular Formula
C15H17N7O4
SMILES
CC1=C(CC(=C(N1)C)C(=O)NNC(=O)CC#N)C(=O)NNC(=O)CC#N
InChI
InChI=1S/C15H17N7O4/c1-8-10(14(25)21-19-12(23)3-5-16)7-11(9(2)18-8)15(26)22-20-13(24)4-6-17/h18H,3-4,7H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKey
RYCIQYWWYYMJBA-UHFFFAOYSA-N
Compound name
3-N',5-N'-bis(2-cyanoacetyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.13422 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14150 191.7
[M+Na]+ 382.12344 195.8
[M-H]- 358.12694 191.9
[M+NH4]+ 377.16804 196.9
[M+K]+ 398.09738 195.7
[M+H-H2O]+ 342.13148 174.4
[M+HCOO]- 404.13242 200.9
[M+CH3COO]- 418.14807 240.5
[M+Na-2H]- 380.10889 187.8
[M]+ 359.13367 180.5
[M]- 359.13477 180.5
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.