CID 3088632

Sr 44284 a

Structural Information

Molecular Formula
C16H21N3OS
SMILES
C1COCCN1CCCNC2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3OS/c1-2-5-14(6-3-1)15-13-21-16(18-15)17-7-4-8-19-9-11-20-12-10-19/h1-3,5-6,13H,4,7-12H2,(H,17,18)
InChIKey
CWIMVUDDZIXMAA-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

303.14053 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.147806 168.3
[M+Na]+ 326.129748 173.3
[M-H]- 302.133254 175.1
[M+NH4]+ 321.174353 180.9
[M+K]+ 342.103688 169.4
[M+H-H2O]+ 286.137790 159.0
[M+HCOO]- 348.138731 183.1
[M+CH3COO]- 362.154381 178.2
[M+Na-2H]- 324.115196 169.7
[M]+ 303.13998142 167.1
[M]- 303.14107858 167.1
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

No patent data available for this compound.