CID 4255557

2-amino-4-(4-methoxyphenyl)-5-tetradecylthiazole

Structural Information

Molecular Formula
C24H38N2OS
SMILES
CCCCCCCCCCCCCCC1=C(N=C(S1)N)C2=CC=C(C=C2)OC
InChI
InChI=1S/C24H38N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23(26-24(25)28-22)20-16-18-21(27-2)19-17-20/h16-19H,3-15H2,1-2H3,(H2,25,26)
InChIKey
PDBHOIXWNQRQMP-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-5-tetradecyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.27048 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.27776 202.5
[M+Na]+ 425.25970 206.8
[M-H]- 401.26320 206.1
[M+NH4]+ 420.30430 214.5
[M+K]+ 441.23364 199.9
[M+H-H2O]+ 385.26774 193.1
[M+HCOO]- 447.26868 218.5
[M+CH3COO]- 461.28433 227.4
[M+Na-2H]- 423.24515 197.5
[M]+ 402.26993 209.5
[M]- 402.27103 209.5
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