CID 4367374

160256-75-7

Structural Information

Molecular Formula
C20H25N3O4
SMILES
C1=CC=C(C=C1)COC(=O)NCCNCCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H25N3O4/c24-19(26-15-17-7-3-1-4-8-17)22-13-11-21-12-14-23-20(25)27-16-18-9-5-2-6-10-18/h1-10,21H,11-16H2,(H,22,24)(H,23,25)
InChIKey
DWPBEWIGNADCAX-UHFFFAOYSA-N
Compound name
benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

371.1845 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19178 191.4
[M+Na]+ 394.17372 199.6
[M+NH4]+ 389.21832 196.2
[M+K]+ 410.14766 193.2
[M-H]- 370.17722 194.9
[M+Na-2H]- 392.15917 197.6
[M]+ 371.18395 193.0
[M]- 371.18505 193.0
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

patents stripe