CID 117770458

1472062-94-4

Structural Information

Molecular Formula
C21H14ClN3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)Cl
InChI
InChI=1S/C21H14ClN3/c22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKey
JKHCVYDYGWHIFJ-UHFFFAOYSA-N
Compound name
2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1586
Patents

343.08762 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09490 183.0
[M+Na]+ 366.07684 204.6
[M+NH4]+ 361.12144 192.5
[M+K]+ 382.05078 192.5
[M-H]- 342.08034 192.1
[M+Na-2H]- 364.06229 198.6
[M]+ 343.08707 189.5
[M]- 343.08817 189.5
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

patents stripe