CID 9604810

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

Structural Information

Molecular Formula
C19H19N5O
SMILES
CC=NC(=N)C1=NN(C(=N1)C2=CC(=CC=C2)OC)CC3=CC=CC=C3
InChI
InChI=1S/C19H19N5O/c1-3-21-17(20)18-22-19(15-10-7-11-16(12-15)25-2)24(23-18)13-14-8-5-4-6-9-14/h3-12,20H,13H2,1-2H3
InChIKey
WOIYEFPMNINIKA-UHFFFAOYSA-N
Compound name
1-benzyl-N-ethylidene-5-(3-methoxyphenyl)-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15897 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 180.1
[M+Na]+ 356.14819 187.4
[M-H]- 332.15169 187.7
[M+NH4]+ 351.19279 191.3
[M+K]+ 372.12213 181.8
[M+H-H2O]+ 316.15623 168.4
[M+HCOO]- 378.15717 204.0
[M+CH3COO]- 392.17282 216.6
[M+Na-2H]- 354.13364 183.5
[M]+ 333.15842 181.4
[M]- 333.15952 181.4
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.