CID 139596866

154486-28-9

Structural Information

Molecular Formula
C19H17ClN4O
SMILES
C1C(OC(=N)C1(CN2C=NC=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN4O/c20-16-8-6-14(7-9-16)17-10-19(18(21)25-17,11-24-13-22-12-23-24)15-4-2-1-3-5-15/h1-9,12-13,17,21H,10-11H2
InChIKey
QYOZGLDOOKDVGO-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-phenyl-3-(1,2,4-triazol-1-ylmethyl)oxolan-2-imine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

352.1091 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11638 181.6
[M+Na]+ 375.09832 190.2
[M-H]- 351.10182 191.4
[M+NH4]+ 370.14292 194.5
[M+K]+ 391.07226 184.0
[M+H-H2O]+ 335.10636 170.7
[M+HCOO]- 397.10730 197.4
[M+CH3COO]- 411.12295 192.0
[M+Na-2H]- 373.08377 182.8
[M]+ 352.10855 181.8
[M]- 352.10965 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.