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]+ 233.07431 146.0
[M+Na]+ 255.05625 155.8
[M-H]- 231.05975 151.2
[M+NH4]+ 250.10085 166.1
[M+K]+ 271.03019 152.7
[M+H-H2O]+ 215.06429 140.2
[M+HCOO]- 277.06523 163.0
[M+CH3COO]- 291.08088 159.3
[M+Na-2H]- 253.04170 152.5
[M]+ 232.06648 149.2
[M]- 232.06758 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.