CID 135323

75318-65-9

Structural Information

Molecular Formula
C21H15N3
SMILES
C1C2=CC=CC=C2C3=NC(=NN31)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C21H15N3/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)20-22-21-19-9-5-4-8-18(19)14-24(21)23-20/h1-13H,14H2
InChIKey
CFLBLPUGAAOSLY-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.1266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13388 172.8
[M+Na]+ 332.11582 182.9
[M-H]- 308.11932 181.2
[M+NH4]+ 327.16042 188.5
[M+K]+ 348.08976 175.2
[M+H-H2O]+ 292.12386 162.2
[M+HCOO]- 354.12480 193.1
[M+CH3COO]- 368.14045 184.2
[M+Na-2H]- 330.10127 176.3
[M]+ 309.12605 173.3
[M]- 309.12715 173.3
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