CID 6296583

N-(4-bromo-3-methylphenyl)-3-(4-(methylthio)phenyl)acrylamide

Structural Information

Molecular Formula
C17H16BrNOS
SMILES
CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)SC)Br
InChI
InChI=1S/C17H16BrNOS/c1-12-11-14(6-9-16(12)18)19-17(20)10-5-13-3-7-15(21-2)8-4-13/h3-11H,1-2H3,(H,19,20)/b10-5+
InChIKey
RSVNAKZVKRMSER-BJMVGYQFSA-N
Compound name
(E)-N-(4-bromo-3-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0136 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.02088 167.7
[M+Na]+ 384.00282 178.5
[M-H]- 360.00632 176.9
[M+NH4]+ 379.04742 184.9
[M+K]+ 399.97676 164.2
[M+H-H2O]+ 344.01086 166.3
[M+HCOO]- 406.01180 184.3
[M+CH3COO]- 420.02745 211.3
[M+Na-2H]- 381.98827 170.4
[M]+ 361.01305 188.3
[M]- 361.01415 188.3
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.