CID 108449

4-((4-(trifluoromethyl)-2-benzothiazolyl)azo)-2,5-dimethyl-n-(1-methylpropyl)aniline

Structural Information

Molecular Formula
C20H21F3N4S
SMILES
CCC(C)NC1=C(C=C(C(=C1)C)N=NC2=NC3=C(C=CC=C3S2)C(F)(F)F)C
InChI
InChI=1S/C20H21F3N4S/c1-5-13(4)24-15-9-12(3)16(10-11(15)2)26-27-19-25-18-14(20(21,22)23)7-6-8-17(18)28-19/h6-10,13,24H,5H2,1-4H3
InChIKey
UKZDNRGTNGNYEO-UHFFFAOYSA-N
Compound name
N-butan-2-yl-2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1439 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15118 194.7
[M+Na]+ 429.13312 204.6
[M-H]- 405.13662 200.6
[M+NH4]+ 424.17772 208.8
[M+K]+ 445.10706 198.4
[M+H-H2O]+ 389.14116 183.3
[M+HCOO]- 451.14210 212.8
[M+CH3COO]- 465.15775 235.9
[M+Na-2H]- 427.11857 195.5
[M]+ 406.14335 198.2
[M]- 406.14445 198.2
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

No patent data available for this compound.