CID 15956113

N-(4-chloro-3-(cyclohexylmethoxy)phenyl)thiazol-2-amine

Structural Information

Molecular Formula
C16H19ClN2OS
SMILES
C1CCC(CC1)COC2=C(C=CC(=C2)NC3=NC=CS3)Cl
InChI
InChI=1S/C16H19ClN2OS/c17-14-7-6-13(19-16-18-8-9-21-16)10-15(14)20-11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,18,19)
InChIKey
IIVKYZICAVRTSQ-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(cyclohexylmethoxy)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

322.09067 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09795 172.7
[M+Na]+ 345.07989 179.0
[M-H]- 321.08339 180.5
[M+NH4]+ 340.12449 188.3
[M+K]+ 361.05383 172.8
[M+H-H2O]+ 305.08793 164.8
[M+HCOO]- 367.08887 184.8
[M+CH3COO]- 381.10452 183.0
[M+Na-2H]- 343.06534 172.4
[M]+ 322.09012 173.1
[M]- 322.09122 173.1
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