CID 6481648

Chembl194742

Structural Information

Molecular Formula
C16H34N6O5
SMILES
C(CCN)C[C@H](COC(=O)N)NC(=O)CN(CCCCN)C(=O)OCCN
InChI
InChI=1S/C16H34N6O5/c17-6-2-1-5-13(12-27-15(20)24)21-14(23)11-22(9-4-3-7-18)16(25)26-10-8-19/h13H,1-12,17-19H2,(H2,20,24)(H,21,23)/t13-/m1/s1
InChIKey
AQRZVRYILHPDMA-CYBMUJFWSA-N
Compound name
2-aminoethyl N-(4-aminobutyl)-N-[2-[[(2R)-6-amino-1-carbamoyloxyhexan-2-yl]amino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.25906 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.26634 192.7
[M+Na]+ 413.24828 190.5
[M-H]- 389.25178 214.6
[M+NH4]+ 408.29288 206.3
[M+K]+ 429.22222 192.3
[M+H-H2O]+ 373.25632 182.5
[M+HCOO]- 435.25726 200.0
[M+CH3COO]- 449.27291 238.4
[M+Na-2H]- 411.23373 187.3
[M]+ 390.25851 191.9
[M]- 390.25961 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.