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]+ 246.16010 158.4
[M+Na]+ 268.14204 170.4
[M+NH4]+ 263.18664 165.5
[M+K]+ 284.11598 165.6
[M-H]- 244.14554 161.1
[M+Na-2H]- 266.12749 164.7
[M]+ 245.15227 160.7
[M]- 245.15337 160.7
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.

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No patent data available for this compound.