CID 23546878

78941-32-9

Structural Information

Molecular Formula
C23H14ClN3
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NC(=NC(=N3)Cl)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H14ClN3/c24-23-26-21(19-13-5-9-15-7-1-3-11-17(15)19)25-22(27-23)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKey
KQKCYBIGRDRFJT-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dinaphthalen-1-yl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

367.08762 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09490 188.6
[M+Na]+ 390.07684 200.3
[M-H]- 366.08034 195.7
[M+NH4]+ 385.12144 198.8
[M+K]+ 406.05078 189.9
[M+H-H2O]+ 350.08488 175.5
[M+HCOO]- 412.08582 202.4
[M+CH3COO]- 426.10147 198.4
[M+Na-2H]- 388.06229 197.2
[M]+ 367.08707 191.4
[M]- 367.08817 191.4
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