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

826
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 193.5
[M+Na]+ 417.17602 199.1
[M-H]- 393.17952 197.4
[M+NH4]+ 412.22062 204.9
[M+K]+ 433.14996 196.0
[M+H-H2O]+ 377.18406 182.5
[M+HCOO]- 439.18500 211.1
[M+CH3COO]- 453.20065 231.4
[M+Na-2H]- 415.16147 194.5
[M]+ 394.18625 192.8
[M]- 394.18735 192.8
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