CID 118528399

1628752-98-6

Structural Information

Molecular Formula
C36H28N4
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C
InChI
InChI=1S/C36H28N4/c1-36(2)29-17-9-11-19-31(29)40(32-20-12-10-18-30(32)36)28-23-21-27(22-24-28)35-38-33(25-13-5-3-6-14-25)37-34(39-35)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKey
IVXBGKPGZOETEW-UHFFFAOYSA-N
Compound name
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

516.2314 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.23868 238.6
[M+Na]+ 539.22062 246.1
[M-H]- 515.22412 248.6
[M+NH4]+ 534.26522 240.5
[M+K]+ 555.19456 234.0
[M+H-H2O]+ 499.22866 218.5
[M+HCOO]- 561.22960 249.3
[M+CH3COO]- 575.24525 242.9
[M+Na-2H]- 537.20607 241.5
[M]+ 516.23085 235.1
[M]- 516.23195 235.1
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