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
2
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]+ 283.089946 163.4
[M+Na]+ 305.071888 172.1
[M-H]- 281.075394 174.3
[M+NH4]+ 300.116493 183.7
[M+K]+ 321.045828 168.2
[M+H-H2O]+ 265.079930 156.1
[M+HCOO]- 327.080871 185.8
[M+CH3COO]- 341.096521 176.7
[M+Na-2H]- 303.057336 166.0
[M]+ 282.08212142 166.7
[M]- 282.08321858 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