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

0
Patents

289.12488 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13216 164.0
[M+Na]+ 312.11410 169.5
[M-H]- 288.11760 171.1
[M+NH4]+ 307.15870 177.2
[M+K]+ 328.08804 165.9
[M+H-H2O]+ 272.12214 155.0
[M+HCOO]- 334.12308 179.2
[M+CH3COO]- 348.13873 174.5
[M+Na-2H]- 310.09955 166.0
[M]+ 289.12433 162.6
[M]- 289.12543 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.