CID 20838793

2-butenoic acid, 4-[[2-[[2-(dodecylamino)ethyl]amino]ethyl]amino]-4-oxo-, (2z)-

Structural Information

Molecular Formula
C20H39N3O3
SMILES
CCCCCCCCCCCCNCCNCCNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C20H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-16-22-17-18-23-19(24)12-13-20(25)26/h12-13,21-22H,2-11,14-18H2,1H3,(H,23,24)(H,25,26)/b13-12-
InChIKey
GNOYRBKTFVWVCJ-SEYXRHQNSA-N
Compound name
(Z)-4-[2-[2-(dodecylamino)ethylamino]ethylamino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.29913 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.30641 197.0
[M+Na]+ 392.28835 195.6
[M-H]- 368.29185 193.2
[M+NH4]+ 387.33295 207.4
[M+K]+ 408.26229 191.8
[M+H-H2O]+ 352.29639 188.3
[M+HCOO]- 414.29733 217.0
[M+CH3COO]- 428.31298 225.5
[M+Na-2H]- 390.27380 194.8
[M]+ 369.29858 199.8
[M]- 369.29968 199.8
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

No patent data available for this compound.