CID 376617

Nsc657647

Structural Information

Molecular Formula
C23H25N7O4
SMILES
CC1=C(C=C(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/C23H23N7O4/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/h3-13H,14-15H2,1-2H3,(H2-2,25,26,27,28,31,32,33,34)/p+2
InChIKey
XSGLBONIPKIAAZ-UHFFFAOYSA-P
Compound name
2,6-dimethyl-3-N',5-N'-bis(2-pyridin-1-ium-1-ylacetyl)pyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.1968 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.20408 209.1
[M+Na]+ 486.18602 210.4
[M-H]- 462.18952 215.2
[M+NH4]+ 481.23062 210.4
[M+K]+ 502.15996 195.4
[M+H-H2O]+ 446.19406 201.5
[M+HCOO]- 508.19500 228.0
[M+CH3COO]- 522.21065 226.5
[M+Na-2H]- 484.17147 217.3
[M]+ 463.19625 205.5
[M]- 463.19735 205.5
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.