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 189.9
[M+Na]+ 386.19512 196.0
[M-H]- 362.19862 196.1
[M+NH4]+ 381.23972 197.2
[M+K]+ 402.16906 188.5
[M+H-H2O]+ 346.20316 177.4
[M+HCOO]- 408.20410 205.1
[M+CH3COO]- 422.21975 197.7
[M+Na-2H]- 384.18057 189.6
[M]+ 363.20535 185.6
[M]- 363.20645 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.