CID 6476753

(z)-3-[4-(4-bromophenyl)phenyl]-n,n-dimethyl-3-(4-nitrophenyl)prop-2-en-1-amine

Structural Information

Molecular Formula
C23H21BrN2O2
SMILES
CN(C)C/C=C(/C1=CC=C(C=C1)C2=CC=C(C=C2)Br)\C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H21BrN2O2/c1-25(2)16-15-23(20-9-13-22(14-10-20)26(27)28)19-5-3-17(4-6-19)18-7-11-21(24)12-8-18/h3-15H,16H2,1-2H3/b23-15-
InChIKey
IVCFEKOAAGPKJP-HAHDFKILSA-N
Compound name
(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-nitrophenyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.07864 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08592 201.3
[M+Na]+ 459.06786 207.3
[M-H]- 435.07136 213.2
[M+NH4]+ 454.11246 213.2
[M+K]+ 475.04180 191.2
[M+H-H2O]+ 419.07590 201.0
[M+HCOO]- 481.07684 222.3
[M+CH3COO]- 495.09249 224.6
[M+Na-2H]- 457.05331 204.3
[M]+ 436.07809 218.7
[M]- 436.07919 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.