CID 71059

1,3,5-triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-

Structural Information

Molecular Formula
C19H18ClN3
SMILES
CC1=CC(=C(C=C1)C2=NC(=NC(=N2)Cl)C3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C19H18ClN3/c1-11-5-7-15(13(3)9-11)17-21-18(23-19(20)22-17)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3
InChIKey
LVWOBZPDFCTAOU-UHFFFAOYSA-N
Compound name
2-chloro-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

323.11893 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12621 178.1
[M+Na]+ 346.10815 190.2
[M-H]- 322.11165 184.4
[M+NH4]+ 341.15275 189.7
[M+K]+ 362.08209 182.0
[M+H-H2O]+ 306.11619 167.3
[M+HCOO]- 368.11713 193.0
[M+CH3COO]- 382.13278 189.3
[M+Na-2H]- 344.09360 180.8
[M]+ 323.11838 182.0
[M]- 323.11948 182.0
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