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]+ 460.197916 211.1
[M+Na]+ 482.179858 212.8
[M-H]- 458.183364 219.0
[M+NH4]+ 477.224463 215.9
[M+K]+ 498.153798 209.2
[M+H-H2O]+ 442.187900 199.2
[M+HCOO]- 504.188841 233.2
[M+CH3COO]- 518.204491 243.0
[M+Na-2H]- 480.165306 211.9
[M]+ 459.19009142 210.1
[M]- 459.19118858 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

patents stripe