CID 3068026

2-(4-phenyl-5-(1-piperidinylamino)-4h-1,2,4-triazol-3-yl)phenol

Structural Information

Molecular Formula
C19H21N5O
SMILES
C1CCN(CC1)NC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C19H21N5O/c25-17-12-6-5-11-16(17)18-20-21-19(22-23-13-7-2-8-14-23)24(18)15-9-3-1-4-10-15/h1,3-6,9-12,25H,2,7-8,13-14H2,(H,21,22)
InChIKey
XKQONGLTQOBKMP-UHFFFAOYSA-N
Compound name
2-[4-phenyl-5-(piperidin-1-ylamino)-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17462 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18190 178.7
[M+Na]+ 358.16384 183.8
[M-H]- 334.16734 184.3
[M+NH4]+ 353.20844 186.5
[M+K]+ 374.13778 176.8
[M+H-H2O]+ 318.17188 166.0
[M+HCOO]- 380.17282 194.6
[M+CH3COO]- 394.18847 186.7
[M+Na-2H]- 356.14929 181.1
[M]+ 335.17407 172.8
[M]- 335.17517 172.8
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.