CID 7530557

297145-60-9

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCCOC
InChI
InChI=1S/C20H21ClN2O3/c1-14-3-7-16(8-4-14)19(24)23-18(20(25)22-11-12-26-2)13-15-5-9-17(21)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)/b18-13-
InChIKey
QWMPWFYNGLZPPB-AQTBWJFISA-N
Compound name
N-[(Z)-1-(4-chlorophenyl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12408 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 188.9
[M+Na]+ 395.11330 200.3
[M+NH4]+ 390.15790 194.9
[M+K]+ 411.08724 193.2
[M-H]- 371.11680 192.5
[M+Na-2H]- 393.09875 195.2
[M]+ 372.12353 191.6
[M]- 372.12463 191.6
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.