CID 111671

Einecs 272-523-4

Structural Information

Molecular Formula
C24H52N2O
SMILES
CCCCCCCCCCCCCCCCCCOCCCNCCCN
InChI
InChI=1S/C24H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-24-19-22-26-21-18-20-25/h26H,2-25H2,1H3
InChIKey
IIGPZNTWBXMEFO-UHFFFAOYSA-N
Compound name
N'-(3-octadecoxypropyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

384.40796 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.41524 207.9
[M+Na]+ 407.39718 205.8
[M-H]- 383.40068 204.0
[M+NH4]+ 402.44178 218.9
[M+K]+ 423.37112 201.0
[M+H-H2O]+ 367.40522 198.9
[M+HCOO]- 429.40616 227.3
[M+CH3COO]- 443.42181 232.3
[M+Na-2H]- 405.38263 205.1
[M]+ 384.40741 214.8
[M]- 384.40851 214.8
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