CID 90024

23194-13-0

Structural Information

Molecular Formula
C12H26N4O4
SMILES
C(CCCNC(=O)NCCO)CCNC(=O)NCCO
InChI
InChI=1S/C12H26N4O4/c17-9-7-15-11(19)13-5-3-1-2-4-6-14-12(20)16-8-10-18/h17-18H,1-10H2,(H2,13,15,19)(H2,14,16,20)
InChIKey
IEPBGXYJCMRGCN-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-[6-(2-hydroxyethylcarbamoylamino)hexyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

290.1954 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20268 167.8
[M+Na]+ 313.18462 168.2
[M-H]- 289.18812 164.1
[M+NH4]+ 308.22922 180.4
[M+K]+ 329.15856 166.8
[M+H-H2O]+ 273.19266 159.8
[M+HCOO]- 335.19360 190.0
[M+CH3COO]- 349.20925 206.6
[M+Na-2H]- 311.17007 169.5
[M]+ 290.19485 166.8
[M]- 290.19595 166.8
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