CID 115395953

[4-(2-methoxyethyl)-5-(2-phenylethyl)-4h-1,2,4-triazol-3-yl]methanol

Structural Information

Molecular Formula
C14H19N3O2
SMILES
COCCN1C(=NN=C1CO)CCC2=CC=CC=C2
InChI
InChI=1S/C14H19N3O2/c1-19-10-9-17-13(15-16-14(17)11-18)8-7-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3
InChIKey
LIHAEJSEMIDWTL-UHFFFAOYSA-N
Compound name
[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.155016 160.8
[M+Na]+ 284.136958 168.6
[M-H]- 260.140464 162.1
[M+NH4]+ 279.181563 174.6
[M+K]+ 300.110898 164.6
[M+H-H2O]+ 244.145000 151.3
[M+HCOO]- 306.145941 180.9
[M+CH3COO]- 320.161591 193.8
[M+Na-2H]- 282.122406 164.3
[M]+ 261.14719142 163.9
[M]- 261.14828858 163.9
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.