CID 21881521

N-boc-n'-succinyl-4,7,10-trioxa-1,13-tridecanediamine

Structural Information

Molecular Formula
C19H36N2O8
SMILES
CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)O
InChI
InChI=1S/C19H36N2O8/c1-19(2,3)29-18(25)21-9-5-11-27-13-15-28-14-12-26-10-4-8-20-16(22)6-7-17(23)24/h4-15H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChIKey
RTHQDNQOODHVLK-UHFFFAOYSA-N
Compound name
4-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

420.24716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25444 211.7
[M+Na]+ 443.23638 219.9
[M-H]- 419.23988 213.6
[M+NH4]+ 438.28098 216.2
[M+K]+ 459.21032 213.1
[M+H-H2O]+ 403.24442 210.4
[M+HCOO]- 465.24536 218.0
[M+CH3COO]- 479.26101 227.6
[M+Na-2H]- 441.22183 201.3
[M]+ 420.24661 208.7
[M]- 420.24771 208.7
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

patents stripe