CID 9604819

(ne)-n-ethylidene-1-(2-hydroxyethoxymethyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamidine

Structural Information

Molecular Formula
C15H19N5O3
SMILES
CC=NC(=N)C1=NN(C(=N1)C2=CC=C(C=C2)OC)COCCO
InChI
InChI=1S/C15H19N5O3/c1-3-17-13(16)14-18-15(20(19-14)10-23-9-8-21)11-4-6-12(22-2)7-5-11/h3-7,16,21H,8-10H2,1-2H3
InChIKey
JDZKZZHJGDVICD-UHFFFAOYSA-N
Compound name
N-ethylidene-1-(2-hydroxyethoxymethyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1488 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15608 173.4
[M+Na]+ 340.13802 180.4
[M-H]- 316.14152 176.7
[M+NH4]+ 335.18262 185.1
[M+K]+ 356.11196 177.0
[M+H-H2O]+ 300.14606 163.2
[M+HCOO]- 362.14700 196.4
[M+CH3COO]- 376.16265 210.7
[M+Na-2H]- 338.12347 176.4
[M]+ 317.14825 176.9
[M]- 317.14935 176.9
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.