CID 6061229

N-(2-(4-cl-ph)-1-(((3-(dimethylamino)pr)amino)carbonyl)vinyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C22H26ClN3O3
SMILES
CN(C)CCCNC(=O)/C(=C\C1=CC=C(C=C1)Cl)/NC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H26ClN3O3/c1-26(2)14-4-13-24-22(28)20(15-16-5-9-18(23)10-6-16)25-21(27)17-7-11-19(29-3)12-8-17/h5-12,15H,4,13-14H2,1-3H3,(H,24,28)(H,25,27)/b20-15+
InChIKey
PRABQPXMQNMVAT-HMMYKYKNSA-N
Compound name
N-[(E)-1-(4-chlorophenyl)-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.16626 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17354 201.3
[M+Na]+ 438.15548 211.1
[M+NH4]+ 433.20008 206.5
[M+K]+ 454.12942 204.4
[M-H]- 414.15898 205.3
[M+Na-2H]- 436.14093 207.0
[M]+ 415.16571 203.7
[M]- 415.16681 203.7
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.