CID 73234

64415-14-1

Structural Information

Molecular Formula
C23H36N2S
SMILES
CCCCCCCCCCCCCCC1=C(N=C(S1)N)C2=CC=CC=C2
InChI
InChI=1S/C23H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21-22(25-23(24)26-21)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3,(H2,24,25)
InChIKey
WYDPIVMKULHMBF-UHFFFAOYSA-N
Compound name
4-phenyl-5-tetradecyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

372.25992 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.26720 194.5
[M+Na]+ 395.24914 198.7
[M-H]- 371.25264 198.0
[M+NH4]+ 390.29374 207.6
[M+K]+ 411.22308 191.4
[M+H-H2O]+ 355.25718 185.2
[M+HCOO]- 417.25812 210.7
[M+CH3COO]- 431.27377 221.4
[M+Na-2H]- 393.23459 190.6
[M]+ 372.25937 199.4
[M]- 372.26047 199.4
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