CID 5820951

2-(4-bromophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile

Structural Information

Molecular Formula
C17H15BrN2
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H15BrN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+
InChIKey
HIXOCRBRISZENC-RVDMUPIBSA-N
Compound name
(Z)-2-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.04187 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04915 171.7
[M+Na]+ 349.03109 183.3
[M-H]- 325.03459 178.7
[M+NH4]+ 344.07569 187.5
[M+K]+ 365.00503 169.7
[M+H-H2O]+ 309.03913 162.8
[M+HCOO]- 371.04007 191.4
[M+CH3COO]- 385.05572 219.5
[M+Na-2H]- 347.01654 174.9
[M]+ 326.04132 183.1
[M]- 326.04242 183.1
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