CID 7460832

N-[(z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide

Structural Information

Molecular Formula
C14H13BrN2OS
SMILES
C/C(=N\NC(=O)CC1=CC=CS1)/C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H13BrN2OS/c1-10(11-4-2-5-12(15)8-11)16-17-14(18)9-13-6-3-7-19-13/h2-8H,9H2,1H3,(H,17,18)/b16-10+
InChIKey
IYFJCUIZHFLZQZ-MHWRWJLKSA-N
Compound name
N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9932 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.00048 164.5
[M+Na]+ 358.98242 174.5
[M-H]- 334.98592 175.0
[M+NH4]+ 354.02702 184.2
[M+K]+ 374.95636 162.0
[M+H-H2O]+ 318.99046 162.7
[M+HCOO]- 380.99140 184.2
[M+CH3COO]- 395.00705 208.4
[M+Na-2H]- 356.96787 167.2
[M]+ 335.99265 184.6
[M]- 335.99375 184.6
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.