CID 16228338

2-[5-amino-3-(4-propylphenyl)-1h-pyrazol-1-yl]ethan-1-ol

Structural Information

Molecular Formula
C14H19N3O
SMILES
CCCC1=CC=C(C=C1)C2=NN(C(=C2)N)CCO
InChI
InChI=1S/C14H19N3O/c1-2-3-11-4-6-12(7-5-11)13-10-14(15)17(16-13)8-9-18/h4-7,10,18H,2-3,8-9,15H2,1H3
InChIKey
APLCAUAGRCHQRP-UHFFFAOYSA-N
Compound name
2-[5-amino-3-(4-propylphenyl)pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 157.7
[M+Na]+ 268.142038 165.7
[M-H]- 244.145544 160.4
[M+NH4]+ 263.186643 173.4
[M+K]+ 284.115978 160.9
[M+H-H2O]+ 228.150080 149.3
[M+HCOO]- 290.151021 179.4
[M+CH3COO]- 304.166671 194.5
[M+Na-2H]- 266.127486 160.0
[M]+ 245.15227142 157.7
[M]- 245.15336858 157.7
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.