CID 5874036

Nsc3598

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC(=O)OCC
InChI
InChI=1S/C22H26N2O3/c1-4-24(5-2)20-14-7-17(8-15-20)9-16-21(25)18-10-12-19(13-11-18)23-22(26)27-6-3/h7-16H,4-6H2,1-3H3,(H,23,26)/b16-9+
InChIKey
SLWXJMICFIAYMH-CXUHLZMHSA-N
Compound name
ethyl N-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 191.6
[M+Na]+ 389.18356 195.1
[M-H]- 365.18706 198.8
[M+NH4]+ 384.22816 203.6
[M+K]+ 405.15750 192.0
[M+H-H2O]+ 349.19160 182.0
[M+HCOO]- 411.19254 215.0
[M+CH3COO]- 425.20819 225.1
[M+Na-2H]- 387.16901 191.6
[M]+ 366.19379 194.7
[M]- 366.19489 194.7
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.