CID 3830289

618441-87-5

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC(=C3)C
InChI
InChI=1S/C18H18N2O/c1-13-6-8-15(9-7-13)18-16(12-21)11-20(19-18)17-5-3-4-14(2)10-17/h3-11,21H,12H2,1-2H3
InChIKey
QCVZOLLKYKMPGX-UHFFFAOYSA-N
Compound name
[1-(3-methylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 167.2
[M+Na]+ 301.13112 183.3
[M+NH4]+ 296.17572 175.5
[M+K]+ 317.10506 176.6
[M-H]- 277.13462 172.7
[M+Na-2H]- 299.11657 177.2
[M]+ 278.14135 171.2
[M]- 278.14245 171.2
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.