CID 3072154

141079-00-7

Structural Information

Molecular Formula
C24H23N3O2
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)OC)COC4=CC=C(C=C4)C
InChI
InChI=1S/C24H23N3O2/c1-17-4-10-20(11-5-17)27-23(16-29-22-12-6-18(2)7-13-22)25-26-24(27)19-8-14-21(28-3)15-9-19/h4-15H,16H2,1-3H3
InChIKey
DYLXPNPSPONDCG-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-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

385.17902 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18630 195.6
[M+Na]+ 408.16824 204.4
[M-H]- 384.17174 205.0
[M+NH4]+ 403.21284 204.4
[M+K]+ 424.14218 197.6
[M+H-H2O]+ 368.17628 183.0
[M+HCOO]- 430.17722 215.9
[M+CH3COO]- 444.19287 205.4
[M+Na-2H]- 406.15369 196.2
[M]+ 385.17847 199.4
[M]- 385.17957 199.4
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.