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

0
Patents

303.14053 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 168.3
[M+Na]+ 326.12975 173.3
[M-H]- 302.13325 175.1
[M+NH4]+ 321.17435 180.9
[M+K]+ 342.10369 169.4
[M+H-H2O]+ 286.13779 159.0
[M+HCOO]- 348.13873 183.1
[M+CH3COO]- 362.15438 178.2
[M+Na-2H]- 324.11520 169.7
[M]+ 303.13998 167.1
[M]- 303.14108 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.