CID 389235

Nsc684988

Structural Information

Molecular Formula
C17H18N2O2S
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C
InChI
InChI=1S/C17H18N2O2S/c1-4-19(5-2)13-7-6-12-8-14(15-10-22-11(3)18-15)17(20)21-16(12)9-13/h6-10H,4-5H2,1-3H3
InChIKey
GOYGMLRWQGILHI-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

314.1089 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11618 172.3
[M+Na]+ 337.09812 183.7
[M-H]- 313.10162 182.2
[M+NH4]+ 332.14272 188.9
[M+K]+ 353.07206 180.4
[M+H-H2O]+ 297.10616 164.8
[M+HCOO]- 359.10710 192.7
[M+CH3COO]- 373.12275 185.7
[M+Na-2H]- 335.08357 175.0
[M]+ 314.10835 181.2
[M]- 314.10945 181.2
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.