CID 3068027

2-(5-((2,6-dimethyl-1-piperidinyl)amino)-4-phenyl-4h-1,2,4-triazol-3-yl)phenol

Structural Information

Molecular Formula
C21H25N5O
SMILES
CC1CCCC(N1NC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O)C
InChI
InChI=1S/C21H25N5O/c1-15-9-8-10-16(2)26(15)24-21-23-22-20(18-13-6-7-14-19(18)27)25(21)17-11-4-3-5-12-17/h3-7,11-16,27H,8-10H2,1-2H3,(H,23,24)
InChIKey
BQKPGMYKYDBCDT-UHFFFAOYSA-N
Compound name
2-[5-[(2,6-dimethylpiperidin-1-yl)amino]-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2059 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21318 190.9
[M+Na]+ 386.19512 205.1
[M+NH4]+ 381.23972 197.4
[M+K]+ 402.16906 199.2
[M-H]- 362.19862 197.1
[M+Na-2H]- 384.18057 200.0
[M]+ 363.20535 194.6
[M]- 363.20645 194.6
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.