CID 3017573

Einecs 265-595-3

Structural Information

Molecular Formula
C18H40N4O
SMILES
CCCCCCCCCCCC(=O)NCCNCCNCCN
InChI
InChI=1S/C18H40N4O/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-17-16-21-15-14-20-13-12-19/h20-21H,2-17,19H2,1H3,(H,22,23)
InChIKey
BVTFPKVMGFMGFX-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

328.32022 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.32750 186.4
[M+Na]+ 351.30944 185.1
[M-H]- 327.31294 183.7
[M+NH4]+ 346.35404 198.8
[M+K]+ 367.28338 182.1
[M+H-H2O]+ 311.31748 177.5
[M+HCOO]- 373.31842 209.0
[M+CH3COO]- 387.33407 224.0
[M+Na-2H]- 349.29489 186.1
[M]+ 328.31967 187.8
[M]- 328.32077 187.8
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