CID 103813

Benzo[b]thiophen-3(2h)-one, 2-[[4-(dimethylamino)phenyl]imino]-

Structural Information

Molecular Formula
C16H14N2OS
SMILES
CN(C)C1=CC=C(C=C1)N=C2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C16H14N2OS/c1-18(2)12-9-7-11(8-10-12)17-16-15(19)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3
InChIKey
XMGJTUPJPBHYCF-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]imino-1-benzothiophen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.08267 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 163.4
[M+Na]+ 305.07189 172.1
[M-H]- 281.07539 174.3
[M+NH4]+ 300.11649 183.7
[M+K]+ 321.04583 168.2
[M+H-H2O]+ 265.07993 156.1
[M+HCOO]- 327.08087 185.8
[M+CH3COO]- 341.09652 176.7
[M+Na-2H]- 303.05734 166.0
[M]+ 282.08212 166.7
[M]- 282.08322 166.7
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

patents stripe