CID 378410

Nsc660828

Structural Information

Molecular Formula
C23H20ClN9O2
SMILES
C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NNC(=O)C4=CC=NC=C4
InChI
InChI=1S/C23H20ClN9O2/c24-17-6-8-18(9-7-17)26-21-27-22(32-30-19(34)14-15-4-2-1-3-5-15)29-23(28-21)33-31-20(35)16-10-12-25-13-11-16/h1-13H,14H2,(H,30,34)(H,31,35)(H3,26,27,28,29,32,33)
InChIKey
GIYAZSFLLRCLQY-UHFFFAOYSA-N
Compound name
N'-[4-(4-chloroanilino)-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

489.14285 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.15013 205.7
[M+Na]+ 512.13207 209.4
[M-H]- 488.13557 213.0
[M+NH4]+ 507.17667 205.6
[M+K]+ 528.10601 202.0
[M+H-H2O]+ 472.14011 191.8
[M+HCOO]- 534.14105 223.3
[M+CH3COO]- 548.15670 211.4
[M+Na-2H]- 510.11752 214.7
[M]+ 489.14230 205.2
[M]- 489.14340 205.2
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.