CID 103813

53633-39-9

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 176.3
[M+NH4]+ 300.11649 173.4
[M+K]+ 321.04583 167.9
[M-H]- 281.07539 170.1
[M+Na-2H]- 303.05734 171.6
[M]+ 282.08212 167.6
[M]- 282.08322 167.6
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