CID 6450381

N-(2-((2-(decylamino)ethyl)amino)ethyl)maleamic acid

Structural Information

Molecular Formula
C18H35N3O3
SMILES
CCCCCCCCCCNCCNCCNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C18H35N3O3/c1-2-3-4-5-6-7-8-9-12-19-13-14-20-15-16-21-17(22)10-11-18(23)24/h10-11,19-20H,2-9,12-16H2,1H3,(H,21,22)(H,23,24)/b11-10+
InChIKey
LUFJJWMPXWCKTO-ZHACJKMWSA-N
Compound name
(E)-4-[2-[2-(decylamino)ethylamino]ethylamino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.26785 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.27513 188.6
[M+Na]+ 364.25707 188.0
[M-H]- 340.26057 185.1
[M+NH4]+ 359.30167 200.1
[M+K]+ 380.23101 184.6
[M+H-H2O]+ 324.26511 180.2
[M+HCOO]- 386.26605 209.2
[M+CH3COO]- 400.28170 219.6
[M+Na-2H]- 362.24252 187.3
[M]+ 341.26730 190.6
[M]- 341.26840 190.6
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

No patent data available for this compound.