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 189.1
[M+Na]+ 395.11330 194.0
[M-H]- 371.11680 195.2
[M+NH4]+ 390.15790 201.2
[M+K]+ 411.08724 188.6
[M+H-H2O]+ 355.12134 181.1
[M+HCOO]- 417.12228 207.3
[M+CH3COO]- 431.13793 220.3
[M+Na-2H]- 393.09875 189.3
[M]+ 372.12353 192.2
[M]- 372.12463 192.2
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.