CID 135321

75318-64-8

Structural Information

Molecular Formula
C22H17N3
SMILES
C1CN2C(=NC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C51
InChI
InChI=1S/C22H17N3/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-23-22-20-9-5-4-8-18(20)14-15-25(22)24-21/h1-13H,14-15H2
InChIKey
KFMWWRZUMCGQON-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.14224 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14952 178.0
[M+Na]+ 346.13146 186.7
[M-H]- 322.13496 185.2
[M+NH4]+ 341.17606 190.9
[M+K]+ 362.10540 178.2
[M+H-H2O]+ 306.13950 165.9
[M+HCOO]- 368.14044 195.4
[M+CH3COO]- 382.15609 188.0
[M+Na-2H]- 344.11691 183.2
[M]+ 323.14169 176.2
[M]- 323.14279 176.2
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