CID 3072153

141078-99-1

Structural Information

Molecular Formula
C24H23N3O
SMILES
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)COC4=CC=C(C=C4)C
InChI
InChI=1S/C24H23N3O/c1-17-4-10-20(11-5-17)24-26-25-23(16-28-22-14-8-19(3)9-15-22)27(24)21-12-6-18(2)7-13-21/h4-15H,16H2,1-3H3
InChIKey
QQSNXJBAOGUOOV-UHFFFAOYSA-N
Compound name
3-[(4-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1841 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19138 192.6
[M+Na]+ 392.17332 201.7
[M-H]- 368.17682 202.0
[M+NH4]+ 387.21792 202.2
[M+K]+ 408.14726 194.1
[M+H-H2O]+ 352.18136 180.2
[M+HCOO]- 414.18230 212.7
[M+CH3COO]- 428.19795 202.6
[M+Na-2H]- 390.15877 193.1
[M]+ 369.18355 195.1
[M]- 369.18465 195.1
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.