CID 377030

Nsc658247

Structural Information

Molecular Formula
C23H23N5O6
SMILES
CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C2=CC=CC=C2O)C(=O)NNC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C23H23N5O6/c1-12-16(22(33)27-25-20(31)14-7-3-5-9-18(14)29)11-17(13(2)24-12)23(34)28-26-21(32)15-8-4-6-10-19(15)30/h3-10,24,29-30H,11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)
InChIKey
BDOMQHAOCNPNGK-UHFFFAOYSA-N
Compound name
3-N',5-N'-bis(2-hydroxybenzoyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.16483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17211 208.0
[M+Na]+ 488.15405 209.6
[M-H]- 464.15755 212.7
[M+NH4]+ 483.19865 210.9
[M+K]+ 504.12799 206.8
[M+H-H2O]+ 448.16209 197.5
[M+HCOO]- 510.16303 225.2
[M+CH3COO]- 524.17868 239.9
[M+Na-2H]- 486.13950 206.7
[M]+ 465.16428 203.5
[M]- 465.16538 203.5
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.