CID 5905680

N-{(1e)-1-(4-methoxyphenyl)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide

Structural Information

Molecular Formula
C21H24N2O4
SMILES
COCCCNC(=O)/C(=C\C1=CC=C(C=C1)OC)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H24N2O4/c1-26-14-6-13-22-21(25)19(15-16-9-11-18(27-2)12-10-16)23-20(24)17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,25)(H,23,24)/b19-15+
InChIKey
PYQKQIDXMZDFHU-XDJHFCHBSA-N
Compound name
N-[(E)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 189.8
[M+Na]+ 391.162818 192.1
[M-H]- 367.166324 195.3
[M+NH4]+ 386.207423 200.5
[M+K]+ 407.136758 189.0
[M+H-H2O]+ 351.170860 180.1
[M+HCOO]- 413.171801 212.2
[M+CH3COO]- 427.187451 220.6
[M+Na-2H]- 389.148266 190.7
[M]+ 368.17305142 191.6
[M]- 368.17414858 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.