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
2
Annotation Hits

0
References

61
Patents

381.4083 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.415576 205.6
[M+Na]+ 404.397518 203.0
[M-H]- 380.401024 201.7
[M+NH4]+ 399.442123 216.3
[M+K]+ 420.371458 197.2
[M+H-H2O]+ 364.405560 196.3
[M+HCOO]- 426.406501 226.0
[M+CH3COO]- 440.422151 234.0
[M+Na-2H]- 402.382966 203.2
[M]+ 381.40775142 209.4
[M]- 381.40884858 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