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 202.4
[M+Na]+ 438.15548 205.6
[M-H]- 414.15898 209.4
[M+NH4]+ 433.20008 212.9
[M+K]+ 454.12942 201.4
[M+H-H2O]+ 398.16352 193.5
[M+HCOO]- 460.16446 221.4
[M+CH3COO]- 474.18011 234.6
[M+Na-2H]- 436.14093 201.3
[M]+ 415.16571 206.8
[M]- 415.16681 206.8
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.