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
2
Annotation Hits

0
References

0
Patents

438.46616 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.473436 218.0
[M+Na]+ 461.455378 213.3
[M-H]- 437.458884 213.5
[M+NH4]+ 456.499983 248.5
[M+K]+ 477.429318 207.1
[M+H-H2O]+ 421.463420 207.7
[M+HCOO]- 483.464361 260.9
[M+CH3COO]- 497.480011 247.8
[M+Na-2H]- 459.440826 214.8
[M]+ 438.46561142 222.2
[M]- 438.46670858 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