CID 137362696

2101814-55-3

Structural Information

Molecular Formula
C21H25F3N2O2
SMILES
CC1=CC(=C(C=C1N=CN(C)C(C)C)OC)C(C2=CC=CC=C2)(C(F)(F)F)O
InChI
InChI=1S/C21H25F3N2O2/c1-14(2)26(4)13-25-18-12-19(28-5)17(11-15(18)3)20(27,21(22,23)24)16-9-7-6-8-10-16/h6-14,27H,1-5H3
InChIKey
SWGCXPBFWHWEHC-UHFFFAOYSA-N
Compound name
N'-[5-methoxy-2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

812
Patents

394.1868 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19408 194.9
[M+Na]+ 417.17602 202.5
[M+NH4]+ 412.22062 198.6
[M+K]+ 433.14996 197.6
[M-H]- 393.17952 193.9
[M+Na-2H]- 415.16147 199.1
[M]+ 394.18625 195.5
[M]- 394.18735 195.5
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