CID 6434090

Brn 2311966

Structural Information

Molecular Formula
C19H27N3O5
SMILES
CCNC(=O)OCCN(CCOC(=O)NCC)C(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C19H27N3O5/c1-3-20-18(24)26-14-12-22(13-15-27-19(25)21-4-2)17(23)11-10-16-8-6-5-7-9-16/h5-11H,3-4,12-15H2,1-2H3,(H,20,24)(H,21,25)/b11-10+
InChIKey
JJHNNULOQHARSJ-ZHACJKMWSA-N
Compound name
2-[2-(ethylcarbamoyloxy)ethyl-[(E)-3-phenylprop-2-enoyl]amino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.19507 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20235 192.8
[M+Na]+ 400.18429 193.7
[M-H]- 376.18779 196.1
[M+NH4]+ 395.22889 203.8
[M+K]+ 416.15823 193.1
[M+H-H2O]+ 360.19233 183.3
[M+HCOO]- 422.19327 216.5
[M+CH3COO]- 436.20892 225.5
[M+Na-2H]- 398.16974 192.6
[M]+ 377.19452 197.1
[M]- 377.19562 197.1
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.