CID 377028

Nsc658245

Structural Information

Molecular Formula
C23H27N7O4
SMILES
CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C[N+]2=CC=CC=C2)C(=O)NNC(=O)C[N+]3=CC=CC=C3
InChI
InChI=1S/C23H25N7O4/c1-16-18(22(33)27-25-20(31)14-29-9-5-3-6-10-29)13-19(17(2)24-16)23(34)28-26-21(32)15-30-11-7-4-8-12-30/h3-12H,13-15H2,1-2H3,(H3-2,24,25,26,27,28,31,32,33,34)/p+2
InChIKey
PVHGDNNIHGPQAV-UHFFFAOYSA-P
Compound name
2,6-dimethyl-3-N',5-N'-bis(2-pyridin-1-ium-1-ylacetyl)-1,4-dihydropyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

465.21246 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.21974 208.1
[M+Na]+ 488.20168 208.1
[M-H]- 464.20518 212.6
[M+NH4]+ 483.24628 208.6
[M+K]+ 504.17562 192.7
[M+H-H2O]+ 448.20972 200.9
[M+HCOO]- 510.21066 224.3
[M+CH3COO]- 524.22631 224.8
[M+Na-2H]- 486.18713 215.2
[M]+ 465.21191 201.6
[M]- 465.21301 201.6
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.