CID 389239

Nsc684992

Structural Information

Molecular Formula
C18H10N2O4S
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O
InChI
InChI=1S/C18H10N2O4S/c21-18-14(9-12-8-13(20(22)23)6-7-16(12)24-18)15-10-25-17(19-15)11-4-2-1-3-5-11/h1-10H
InChIKey
OMVRLLONIMTCRK-UHFFFAOYSA-N
Compound name
6-nitro-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.03613 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.04341 177.9
[M+Na]+ 373.02535 187.9
[M-H]- 349.02885 189.5
[M+NH4]+ 368.06995 190.4
[M+K]+ 388.99929 179.1
[M+H-H2O]+ 333.03339 173.7
[M+HCOO]- 395.03433 198.4
[M+CH3COO]- 409.04998 203.6
[M+Na-2H]- 371.01080 184.3
[M]+ 350.03558 181.7
[M]- 350.03668 181.7
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.