CID 3088647

Sr 44244 a

Structural Information

Molecular Formula
C15H19N3OS
SMILES
C1COCCN1CCNC2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3OS/c1-2-4-13(5-3-1)14-12-20-15(17-14)16-6-7-18-8-10-19-11-9-18/h1-5,12H,6-11H2,(H,16,17)
InChIKey
AYSWOBZKLLJATH-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

289.12488 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.132156 164.0
[M+Na]+ 312.114098 169.5
[M-H]- 288.117604 171.1
[M+NH4]+ 307.158703 177.2
[M+K]+ 328.088038 165.9
[M+H-H2O]+ 272.122140 155.0
[M+HCOO]- 334.123081 179.2
[M+CH3COO]- 348.138731 174.5
[M+Na-2H]- 310.099546 166.0
[M]+ 289.12433142 162.6
[M]- 289.12542858 162.6
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.