CID 6415496

100321-96-8

Structural Information

Molecular Formula
C23H18N4O
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H18N4O/c1-16(28)24-20-14-12-19(13-15-20)23-25-21(17-8-4-2-5-9-17)22(26-27-23)18-10-6-3-7-11-18/h2-15H,1H3,(H,24,28)
InChIKey
SFVIFGKNSNVUQM-UHFFFAOYSA-N
Compound name
N-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14807 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.155346 190.0
[M+Na]+ 389.137288 196.8
[M-H]- 365.140794 198.3
[M+NH4]+ 384.181893 196.5
[M+K]+ 405.111228 188.9
[M+H-H2O]+ 349.145330 176.6
[M+HCOO]- 411.146271 209.6
[M+CH3COO]- 425.161921 198.6
[M+Na-2H]- 387.122736 195.5
[M]+ 366.14752142 188.3
[M]- 366.14861858 188.3
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.