CID 3072155

141079-01-8

Structural Information

Molecular Formula
C23H20ClN3O
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)Cl)COC4=CC=C(C=C4)C
InChI
InChI=1S/C23H20ClN3O/c1-16-3-11-20(12-4-16)27-22(15-28-21-13-5-17(2)6-14-21)25-26-23(27)18-7-9-19(24)10-8-18/h3-14H,15H2,1-2H3
InChIKey
IGDFWKMEHWRDCM-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1295 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13678 195.2
[M+Na]+ 412.11872 205.4
[M-H]- 388.12222 204.2
[M+NH4]+ 407.16332 204.8
[M+K]+ 428.09266 196.7
[M+H-H2O]+ 372.12676 182.8
[M+HCOO]- 434.12770 210.8
[M+CH3COO]- 448.14335 205.1
[M+Na-2H]- 410.10417 195.6
[M]+ 389.12895 199.6
[M]- 389.13005 199.6
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.