CID 5270994

Benzenemethanamine, 4-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-thiazolyl]-n-methyl-n-propyl-

Structural Information

Molecular Formula
C21H20F4N2S
SMILES
CCCN(C)CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(C=C(C=C3)C(F)(F)F)F
InChI
InChI=1S/C21H20F4N2S/c1-3-10-27(2)12-14-4-6-15(7-5-14)19-13-28-20(26-19)17-9-8-16(11-18(17)22)21(23,24)25/h4-9,11,13H,3,10,12H2,1-2H3
InChIKey
JIANINCUKFYYAH-UHFFFAOYSA-N
Compound name
N-[[4-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenyl]methyl]-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

408.12833 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13561 193.3
[M+Na]+ 431.11755 202.2
[M-H]- 407.12105 198.4
[M+NH4]+ 426.16215 205.7
[M+K]+ 447.09149 195.2
[M+H-H2O]+ 391.12559 180.8
[M+HCOO]- 453.12653 206.8
[M+CH3COO]- 467.14218 227.9
[M+Na-2H]- 429.10300 190.2
[M]+ 408.12778 193.3
[M]- 408.12888 193.3
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