CID 11473331

2,2'-azobis[n-(2-carboxyethyl)-2-methylpropionamidine] tetrahydrate

Structural Information

Molecular Formula
C14H26N6O4
SMILES
CC(C)(C(=NCCC(=O)O)N)N=NC(C)(C)C(=NCCC(=O)O)N
InChI
InChI=1S/C14H26N6O4/c1-13(2,11(15)17-7-5-9(21)22)19-20-14(3,4)12(16)18-8-6-10(23)24/h5-8H2,1-4H3,(H2,15,17)(H2,16,18)(H,21,22)(H,23,24)
InChIKey
NMZSJIQGMAGSSO-UHFFFAOYSA-N
Compound name
3-[[1-amino-2-[[1-amino-1-(2-carboxyethylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4075
Patents

342.20154 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20882 179.4
[M+Na]+ 365.19076 178.4
[M+NH4]+ 360.23536 198.1
[M+K]+ 381.16470 198.5
[M-H]- 341.19426 176.1
[M+Na-2H]- 363.17621 177.1
[M]+ 342.20099 177.0
[M]- 342.20209 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe