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

0
References

113
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

No literature data available for this compound.

Patent stripe

patents stripe