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

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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 161.3
[M+Na]+ 291.13422 178.9
[M+NH4]+ 286.17882 170.5
[M+K]+ 307.10816 173.2
[M-H]- 267.13772 167.9
[M+Na-2H]- 289.11967 172.4
[M]+ 268.14445 166.1
[M]- 268.14555 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.