CID 135465496

4,5-dimethyl-2-[4-methyl-2-(o-tolyl)pyrazol-3-yl]phenol

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC1=CC=CC=C1N2C(=C(C=N2)C)C3=C(C=C(C(=C3)C)C)O
InChI
InChI=1S/C19H20N2O/c1-12-7-5-6-8-17(12)21-19(15(4)11-20-21)16-9-13(2)14(3)10-18(16)22/h5-11,22H,1-4H3
InChIKey
UDNLXDZFOPCGGD-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-[4-methyl-2-(2-methylphenyl)pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 170.2
[M+Na]+ 315.14678 181.1
[M-H]- 291.15028 177.6
[M+NH4]+ 310.19138 185.0
[M+K]+ 331.12072 174.8
[M+H-H2O]+ 275.15482 161.5
[M+HCOO]- 337.15576 191.1
[M+CH3COO]- 351.17141 182.4
[M+Na-2H]- 313.13223 170.5
[M]+ 292.15701 172.3
[M]- 292.15811 172.3
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.