CID 4367374

N,n''-di-z-diethylenetriamine

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 187.5
[M+Na]+ 394.17372 188.5
[M-H]- 370.17722 192.6
[M+NH4]+ 389.21832 197.6
[M+K]+ 410.14766 185.7
[M+H-H2O]+ 354.18176 177.1
[M+HCOO]- 416.18270 212.1
[M+CH3COO]- 430.19835 220.9
[M+Na-2H]- 392.15917 191.5
[M]+ 371.18395 189.0
[M]- 371.18505 189.0
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