CID 46853593

Ngp555

Structural Information

Molecular Formula
C23H23FN4S
SMILES
CCC1=CC(=C(C=C1C)C)NC2=NC(=CS2)C3=CC(=C(C=C3)N4C=C(N=C4)C)F
InChI
InChI=1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27)
InChIKey
WDEKUGNKKOGFOA-UHFFFAOYSA-N
Compound name
N-(5-ethyl-2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

49
Patents

406.16275 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17003 197.2
[M+Na]+ 429.15197 209.8
[M-H]- 405.15547 207.6
[M+NH4]+ 424.19657 209.1
[M+K]+ 445.12591 201.2
[M+H-H2O]+ 389.16001 186.9
[M+HCOO]- 451.16095 215.6
[M+CH3COO]- 465.17660 208.2
[M+Na-2H]- 427.13742 192.7
[M]+ 406.16220 202.8
[M]- 406.16330 202.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe