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

161
Patents

371.1845 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.191776 187.5
[M+Na]+ 394.173718 188.5
[M-H]- 370.177224 192.6
[M+NH4]+ 389.218323 197.6
[M+K]+ 410.147658 185.7
[M+H-H2O]+ 354.181760 177.1
[M+HCOO]- 416.182701 212.1
[M+CH3COO]- 430.198351 220.9
[M+Na-2H]- 392.159166 191.5
[M]+ 371.18395142 189.0
[M]- 371.18504858 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