CID 3361966

4,5-dihydro-1-(4-methoxyphenyl)-3-(p-tolyl)-1h-1,2,3-triazolium perchlorate

Structural Information

Molecular Formula
C16H18N3O
SMILES
CC1=CC=C(C=C1)[N+]2=NN(CC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C16H18N3O/c1-13-3-5-14(6-4-13)18-11-12-19(17-18)15-7-9-16(20-2)10-8-15/h3-10H,11-12H2,1-2H3/q+1
InChIKey
WQNADHKLXSHRRW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydrotriazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.145 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15228 165.1
[M+Na]+ 291.13422 173.4
[M-H]- 267.13772 171.4
[M+NH4]+ 286.17882 178.7
[M+K]+ 307.10816 163.2
[M+H-H2O]+ 251.14226 157.2
[M+HCOO]- 313.14320 185.2
[M+CH3COO]- 327.15885 191.2
[M+Na-2H]- 289.11967 170.7
[M]+ 268.14445 164.3
[M]- 268.14555 164.3
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

No patent data available for this compound.