CID 9604816

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

Structural Information

Molecular Formula
C14H17N5O2
SMILES
CC=NC(=N)C1=NN(C(=N1)C2=CC=CC=C2)COCCO
InChI
InChI=1S/C14H17N5O2/c1-2-16-12(15)13-17-14(11-6-4-3-5-7-11)19(18-13)10-21-9-8-20/h2-7,15,20H,8-10H2,1H3
InChIKey
JDIPUXFJMLIWJX-UHFFFAOYSA-N
Compound name
N-ethylidene-1-(2-hydroxyethoxymethyl)-5-phenyl-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1382 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14548 166.0
[M+Na]+ 310.12742 172.8
[M-H]- 286.13092 169.1
[M+NH4]+ 305.17202 178.7
[M+K]+ 326.10136 169.0
[M+H-H2O]+ 270.13546 155.8
[M+HCOO]- 332.13640 189.2
[M+CH3COO]- 346.15205 204.3
[M+Na-2H]- 308.11287 170.2
[M]+ 287.13765 167.4
[M]- 287.13875 167.4
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.