CID 3831463

883545-59-3

Structural Information

Molecular Formula
C13H15N3OS
SMILES
C1COCCN1C2=NC(=CS2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H15N3OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8,14H2
InChIKey
JIQAIHSQSXBLDQ-UHFFFAOYSA-N
Compound name
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0936 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10088 156.7
[M+Na]+ 284.08282 164.1
[M-H]- 260.08632 164.1
[M+NH4]+ 279.12742 171.1
[M+K]+ 300.05676 160.4
[M+H-H2O]+ 244.09086 148.4
[M+HCOO]- 306.09180 171.9
[M+CH3COO]- 320.10745 168.1
[M+Na-2H]- 282.06827 157.9
[M]+ 261.09305 154.1
[M]- 261.09415 154.1
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.