CID 3068027

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

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]+ 364.213176 189.9
[M+Na]+ 386.195118 196.0
[M-H]- 362.198624 196.1
[M+NH4]+ 381.239723 197.2
[M+K]+ 402.169058 188.5
[M+H-H2O]+ 346.203160 177.4
[M+HCOO]- 408.204101 205.1
[M+CH3COO]- 422.219751 197.7
[M+Na-2H]- 384.180566 189.6
[M]+ 363.20535142 185.6
[M]- 363.20644858 185.6
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.