CID 378411

Nsc660829

Structural Information

Molecular Formula
C24H23N9O2
SMILES
CC1=CC=C(C=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H23N9O2/c1-16-7-9-19(10-8-16)26-22-27-23(32-30-20(34)15-17-5-3-2-4-6-17)29-24(28-22)33-31-21(35)18-11-13-25-14-12-18/h2-14H,15H2,1H3,(H,30,34)(H,31,35)(H3,26,27,28,29,32,33)
InChIKey
ZEZUJBJARBIJTL-UHFFFAOYSA-N
Compound name
N'-[4-(4-methylanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.19748 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.20476 204.1
[M+Na]+ 492.18670 206.7
[M-H]- 468.19020 211.6
[M+NH4]+ 487.23130 203.8
[M+K]+ 508.16064 200.1
[M+H-H2O]+ 452.19474 189.7
[M+HCOO]- 514.19568 225.8
[M+CH3COO]- 528.21133 209.8
[M+Na-2H]- 490.17215 213.1
[M]+ 469.19693 201.3
[M]- 469.19803 201.3
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.