CID 135465492

1-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol

Structural Information

Molecular Formula
C21H15F3N2O
SMILES
CC1=NN(C(=C1)C2=C(C=CC3=CC=CC=C32)O)C4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C21H15F3N2O/c1-13-12-18(20-15-7-3-2-6-14(15)10-11-19(20)27)26(25-13)17-9-5-4-8-16(17)21(22,23)24/h2-12,27H,1H3
InChIKey
RUVHJTYBMFAWCD-UHFFFAOYSA-N
Compound name
1-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.11365 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12093 186.6
[M+Na]+ 391.10287 198.4
[M-H]- 367.10637 190.9
[M+NH4]+ 386.14747 198.6
[M+K]+ 407.07681 189.9
[M+H-H2O]+ 351.11091 174.5
[M+HCOO]- 413.11185 202.7
[M+CH3COO]- 427.12750 196.7
[M+Na-2H]- 389.08832 189.0
[M]+ 368.11310 185.3
[M]- 368.11420 185.3
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

patents stripe