CID 135465513

1-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridyl]pyrazol-3-yl]naphthalen-2-ol

Structural Information

Molecular Formula
C21H16F3N3O
SMILES
CC1=CC(=CC(=N1)N2C(=CC(=N2)C3=C(C=CC4=CC=CC=C43)O)C)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O/c1-12-9-15(21(22,23)24)11-19(25-12)27-13(2)10-17(26-27)20-16-6-4-3-5-14(16)7-8-18(20)28/h3-11,28H,1-2H3
InChIKey
JYYGWERISZXTRX-UHFFFAOYSA-N
Compound name
1-[5-methyl-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.12454 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13182 192.3
[M+Na]+ 406.11376 204.9
[M-H]- 382.11726 195.7
[M+NH4]+ 401.15836 202.6
[M+K]+ 422.08770 196.1
[M+H-H2O]+ 366.12180 179.6
[M+HCOO]- 428.12274 207.0
[M+CH3COO]- 442.13839 201.9
[M+Na-2H]- 404.09921 193.9
[M]+ 383.12399 191.9
[M]- 383.12509 191.9
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