CID 6438215

28872-01-7

Structural Information

Molecular Formula
C24H51N3
SMILES
CCCCCCCC/C=C\CCCCCCCCNCCCNCCCN
InChI
InChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h9-10,26-27H,2-8,11-25H2,1H3/b10-9-
InChIKey
ZXUXEWRICDHNKF-KTKRTIGZSA-N
Compound name
N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

381.4083 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.41558 205.6
[M+Na]+ 404.39752 203.0
[M-H]- 380.40102 201.7
[M+NH4]+ 399.44212 216.3
[M+K]+ 420.37146 197.2
[M+H-H2O]+ 364.40556 196.3
[M+HCOO]- 426.40650 226.0
[M+CH3COO]- 440.42215 234.0
[M+Na-2H]- 402.38297 203.2
[M]+ 381.40775 209.4
[M]- 381.40885 209.4
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