CID 62941621

N-ethyl-4h-chromeno[4,3-d][1,3]thiazol-2-amine

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CCNC1=NC2=C(S1)COC3=CC=CC=C32
InChI
InChI=1S/C12H12N2OS/c1-2-13-12-14-11-8-5-3-4-6-9(8)15-7-10(11)16-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey
NSDBGOZCYRZJRI-UHFFFAOYSA-N
Compound name
N-ethyl-4H-chromeno[4,3-d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.06703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 146.0
[M+Na]+ 255.056248 155.8
[M-H]- 231.059754 151.2
[M+NH4]+ 250.100853 166.1
[M+K]+ 271.030188 152.7
[M+H-H2O]+ 215.064290 140.2
[M+HCOO]- 277.065231 163.0
[M+CH3COO]- 291.080881 159.3
[M+Na-2H]- 253.041696 152.5
[M]+ 232.06648142 149.2
[M]- 232.06757858 149.2
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.