CID 376638

Nsc657670

Structural Information

Molecular Formula
C23H23N5O4
SMILES
CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H23N5O4/c1-14-18(22(31)27-25-20(29)16-9-5-3-6-10-16)13-19(15(2)24-14)23(32)28-26-21(30)17-11-7-4-8-12-17/h3-12,24H,13H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKey
NMBFEDOFNQFPFM-UHFFFAOYSA-N
Compound name
3-N',5-N'-dibenzoyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.17502 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18230 202.4
[M+Na]+ 456.16424 203.7
[M-H]- 432.16774 209.0
[M+NH4]+ 451.20884 207.6
[M+K]+ 472.13818 200.0
[M+H-H2O]+ 416.17228 191.4
[M+HCOO]- 478.17322 222.4
[M+CH3COO]- 492.18887 235.7
[M+Na-2H]- 454.14969 202.9
[M]+ 433.17447 197.7
[M]- 433.17557 197.7
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.