CID 378409

Nsc660827

Structural Information

Molecular Formula
C24H23N9O3
SMILES
COC1=CC=CC(=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H23N9O3/c1-36-19-9-5-8-18(15-19)26-22-27-23(32-30-20(34)14-16-6-3-2-4-7-16)29-24(28-22)33-31-21(35)17-10-12-25-13-11-17/h2-13,15H,14H2,1H3,(H,30,34)(H,31,35)(H3,26,27,28,29,32,33)
InChIKey
LBWGASZKGJMWGN-UHFFFAOYSA-N
Compound name
N'-[4-(3-methoxyanilino)-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

485.19238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.19966 205.4
[M+Na]+ 508.18160 207.6
[M-H]- 484.18510 212.9
[M+NH4]+ 503.22620 204.3
[M+K]+ 524.15554 201.9
[M+H-H2O]+ 468.18964 190.8
[M+HCOO]- 530.19058 227.2
[M+CH3COO]- 544.20623 210.9
[M+Na-2H]- 506.16705 214.7
[M]+ 485.19183 203.9
[M]- 485.19293 203.9
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.