CID 376629

Nsc657659

Structural Information

Molecular Formula
C23H21N5O4
SMILES
CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H21N5O4/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/h3-13H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKey
FAVNNTAFEBYTHV-UHFFFAOYSA-N
Compound name
3-N',5-N'-dibenzoyl-2,6-dimethylpyridine-3,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

431.15936 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16664 202.6
[M+Na]+ 454.14858 205.3
[M-H]- 430.15208 210.9
[M+NH4]+ 449.19318 208.6
[M+K]+ 470.12252 202.1
[M+H-H2O]+ 414.15662 191.1
[M+HCOO]- 476.15756 225.4
[M+CH3COO]- 490.17321 237.3
[M+Na-2H]- 452.13403 204.4
[M]+ 431.15881 201.0
[M]- 431.15991 201.0
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.