CID 2740104

Maybridge1_007837

Structural Information

Molecular Formula
C14H13N3OS
SMILES
C1COCCN1C2=NSC(=C2C#N)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3OS/c15-10-12-13(11-4-2-1-3-5-11)19-16-14(12)17-6-8-18-9-7-17/h1-5H,6-9H2
InChIKey
GSZYTDUQUASKJE-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-5-phenyl-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

271.07794 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 161.0
[M+Na]+ 294.06716 171.3
[M-H]- 270.07066 166.8
[M+NH4]+ 289.11176 173.8
[M+K]+ 310.04110 166.1
[M+H-H2O]+ 254.07520 145.8
[M+HCOO]- 316.07614 172.2
[M+CH3COO]- 330.09179 170.9
[M+Na-2H]- 292.05261 161.8
[M]+ 271.07739 155.1
[M]- 271.07849 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.