CID 10685475

(3-amino-1-benzothien-2-yl)(2-nitrophenyl)methanone

Structural Information

Molecular Formula
C15H10N2O3S
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)C3=CC=CC=C3[N+](=O)[O-])N
InChI
InChI=1S/C15H10N2O3S/c16-13-10-6-2-4-8-12(10)21-15(13)14(18)9-5-1-3-7-11(9)17(19)20/h1-8H,16H2
InChIKey
QHEBTZKFJNUQIK-UHFFFAOYSA-N
Compound name
(3-amino-1-benzothiophen-2-yl)-(2-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0412 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04848 161.0
[M+Na]+ 321.03042 175.0
[M+NH4]+ 316.07502 169.8
[M+K]+ 337.00436 170.7
[M-H]- 297.03392 167.3
[M+Na-2H]- 319.01587 168.9
[M]+ 298.04065 165.1
[M]- 298.04175 165.1
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.