CID 9604817

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

Structural Information

Molecular Formula
C15H19N5O2
SMILES
CC=NC(=N)C1=NN(C(=N1)C2=CC=C(C=C2)C)COCCO
InChI
InChI=1S/C15H19N5O2/c1-3-17-13(16)14-18-15(12-6-4-11(2)5-7-12)20(19-14)10-22-9-8-21/h3-7,16,21H,8-10H2,1-2H3
InChIKey
YTSLKEQGZKNJIE-UHFFFAOYSA-N
Compound name
N-ethylidene-1-(2-hydroxyethoxymethyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15387 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16115 171.2
[M+Na]+ 324.14309 178.4
[M-H]- 300.14659 174.5
[M+NH4]+ 319.18769 183.6
[M+K]+ 340.11703 174.4
[M+H-H2O]+ 284.15113 161.1
[M+HCOO]- 346.15207 194.0
[M+CH3COO]- 360.16772 208.5
[M+Na-2H]- 322.12854 174.0
[M]+ 301.15332 173.3
[M]- 301.15442 173.3
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.