CID 3040380

52143-28-9

Structural Information

Molecular Formula
C21H19N4
SMILES
CN1C(=[N+](C(=N1)C2=CC=CC=C2)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H19N4/c1-24-21(18-13-7-3-8-14-18)25(22-19-15-9-4-10-16-19)20(23-24)17-11-5-2-6-12-17/h2-16,22H,1H3/q+1
InChIKey
VCJPNRYUNKXNRM-UHFFFAOYSA-N
Compound name
1-methyl-N,3,5-triphenyl-1,2,4-triazol-4-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16098 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16826 181.2
[M+Na]+ 350.15020 188.5
[M-H]- 326.15370 190.4
[M+NH4]+ 345.19480 191.3
[M+K]+ 366.12414 175.5
[M+H-H2O]+ 310.15824 171.4
[M+HCOO]- 372.15918 202.7
[M+CH3COO]- 386.17483 191.0
[M+Na-2H]- 348.13565 188.0
[M]+ 327.16043 178.8
[M]- 327.16153 178.8
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

No patent data available for this compound.