CID 20836174

Einecs 266-613-2

Structural Information

Molecular Formula
C27H58N4
SMILES
CCCCCCCC/C=C\CCCCCCCCNCCCNCCCNCCCN
InChI
InChI=1S/C27H58N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-19-26-31-27-20-25-30-23-18-21-28/h9-10,29-31H,2-8,11-28H2,1H3/b10-9-
InChIKey
XWNMFDCGCAFWHB-KTKRTIGZSA-N
Compound name
N'-[3-[3-[[(Z)-octadec-9-enyl]amino]propylamino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

438.46616 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.47344 218.0
[M+Na]+ 461.45538 213.3
[M-H]- 437.45888 213.5
[M+NH4]+ 456.49998 248.5
[M+K]+ 477.42932 207.1
[M+H-H2O]+ 421.46342 207.7
[M+HCOO]- 483.46436 260.9
[M+CH3COO]- 497.48001 247.8
[M+Na-2H]- 459.44083 214.8
[M]+ 438.46561 222.2
[M]- 438.46671 222.2
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