CID 378404

Nsc660822

Structural Information

Molecular Formula
C23H21N9O2
SMILES
C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)NNC(=O)C4=CC=NC=C4
InChI
InChI=1S/C23H21N9O2/c33-19(15-16-7-3-1-4-8-16)29-31-22-26-21(25-18-9-5-2-6-10-18)27-23(28-22)32-30-20(34)17-11-13-24-14-12-17/h1-14H,15H2,(H,29,33)(H,30,34)(H3,25,26,27,28,31,32)
InChIKey
XVHFFSYZCPZUIZ-UHFFFAOYSA-N
Compound name
N'-[4-anilino-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

455.18182 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.18910 197.2
[M+Na]+ 478.17104 199.4
[M-H]- 454.17454 204.4
[M+NH4]+ 473.21564 197.2
[M+K]+ 494.14498 192.9
[M+H-H2O]+ 438.17908 182.9
[M+HCOO]- 500.18002 219.3
[M+CH3COO]- 514.19567 203.1
[M+Na-2H]- 476.15649 207.7
[M]+ 455.18127 193.7
[M]- 455.18237 193.7
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.