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]+ 262.15502 160.8
[M+Na]+ 284.13696 168.6
[M-H]- 260.14046 162.1
[M+NH4]+ 279.18156 174.6
[M+K]+ 300.11090 164.6
[M+H-H2O]+ 244.14500 151.3
[M+HCOO]- 306.14594 180.9
[M+CH3COO]- 320.16159 193.8
[M+Na-2H]- 282.12241 164.3
[M]+ 261.14719 163.9
[M]- 261.14829 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.