CID 376621

Nsc657651

Structural Information

Molecular Formula
C25H25N5O4
SMILES
CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)NNC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C25H25N5O4/c1-16-20(24(33)29-27-22(31)13-18-9-5-3-6-10-18)15-21(17(2)26-16)25(34)30-28-23(32)14-19-11-7-4-8-12-19/h3-12,15H,13-14H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKey
YUGDLITYLAUWLD-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-N',5-N'-bis(2-phenylacetyl)pyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

459.19064 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.19792 211.1
[M+Na]+ 482.17986 212.8
[M-H]- 458.18336 219.0
[M+NH4]+ 477.22446 215.9
[M+K]+ 498.15380 209.2
[M+H-H2O]+ 442.18790 199.2
[M+HCOO]- 504.18884 233.2
[M+CH3COO]- 518.20449 243.0
[M+Na-2H]- 480.16531 211.9
[M]+ 459.19009 210.1
[M]- 459.19119 210.1
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.