CID 24212745

3-bromo-n-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C17H14BrNO2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Br
InChI
InChI=1S/C17H14BrNO2S/c1-2-21-12-9-7-11(8-10-12)19-17(20)16-15(18)13-5-3-4-6-14(13)22-16/h3-10H,2H2,1H3,(H,19,20)
InChIKey
FDKSUIQJEIWFRC-UHFFFAOYSA-N
Compound name
3-bromo-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.99286 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.00014 172.8
[M+Na]+ 397.98208 185.4
[M-H]- 373.98558 183.7
[M+NH4]+ 393.02668 192.2
[M+K]+ 413.95602 172.7
[M+H-H2O]+ 357.99012 172.3
[M+HCOO]- 419.99106 191.5
[M+CH3COO]- 434.00671 187.0
[M+Na-2H]- 395.96753 176.9
[M]+ 374.99231 196.6
[M]- 374.99341 196.6
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

No patent data available for this compound.