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]+ 367.15535 190.0
[M+Na]+ 389.13729 196.8
[M-H]- 365.14079 198.3
[M+NH4]+ 384.18189 196.5
[M+K]+ 405.11123 188.9
[M+H-H2O]+ 349.14533 176.6
[M+HCOO]- 411.14627 209.6
[M+CH3COO]- 425.16192 198.6
[M+Na-2H]- 387.12274 195.5
[M]+ 366.14752 188.3
[M]- 366.14862 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.