CID 376649

Nsc657679

Structural Information

Molecular Formula
C25H27N5O4
SMILES
CC1=C(CC(=C(N1)C)C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)NNC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C25H27N5O4/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/h3-12,26H,13-15H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKey
WXEOOHOUEZLOEF-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-N',5-N'-bis(2-phenylacetyl)-1,4-dihydropyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.2063 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.21358 210.7
[M+Na]+ 484.19552 211.0
[M-H]- 460.19902 216.8
[M+NH4]+ 479.24012 214.7
[M+K]+ 500.16946 207.0
[M+H-H2O]+ 444.20356 199.3
[M+HCOO]- 506.20450 230.0
[M+CH3COO]- 520.22015 241.5
[M+Na-2H]- 482.18097 210.3
[M]+ 461.20575 206.6
[M]- 461.20685 206.6
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.