CID 135465494

Schembl7049131

Structural Information

Molecular Formula
C21H18N2O2
SMILES
CC1=CC(=NN1C2=CC=C(C=C2)OC)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C21H18N2O2/c1-14-13-19(22-23(14)16-8-10-17(25-2)11-9-16)21-18-6-4-3-5-15(18)7-12-20(21)24/h3-13,24H,1-2H3
InChIKey
XLOGZHMCMBWQII-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.13684 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14412 179.1
[M+Na]+ 353.12606 190.1
[M-H]- 329.12956 187.3
[M+NH4]+ 348.17066 192.6
[M+K]+ 369.10000 183.2
[M+H-H2O]+ 313.13410 169.2
[M+HCOO]- 375.13504 200.4
[M+CH3COO]- 389.15069 190.7
[M+Na-2H]- 351.11151 182.6
[M]+ 330.13629 182.7
[M]- 330.13739 182.7
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

patents stripe