CID 16084

1973-05-3

Structural Information

Molecular Formula
C21H18N6
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C21H18N6/c1-4-10-16(11-5-1)22-19-25-20(23-17-12-6-2-7-13-17)27-21(26-19)24-18-14-8-3-9-15-18/h1-15H,(H3,22,23,24,25,26,27)
InChIKey
GGHBKCSNURXPNB-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2186
Patents

354.1593 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16658 185.7
[M+Na]+ 377.14852 202.2
[M+NH4]+ 372.19312 193.3
[M+K]+ 393.12246 192.3
[M-H]- 353.15202 195.4
[M+Na-2H]- 375.13397 200.6
[M]+ 354.15875 190.9
[M]- 354.15985 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe