CID 5937687

Nsc5640

Structural Information

Molecular Formula
C20H32N2O4
SMILES
C/C(=N\N=C(\C1C(C(C1)CC(=O)O)(C)C)/C)/C2C(C(C2)CC(=O)O)(C)C
InChI
InChI=1S/C20H32N2O4/c1-11(15-7-13(9-17(23)24)19(15,3)4)21-22-12(2)16-8-14(10-18(25)26)20(16,5)6/h13-16H,7-10H2,1-6H3,(H,23,24)(H,25,26)/b21-11+,22-12+
InChIKey
XVYLZBKIPPCLTR-XHQRYOPUSA-N
Compound name
2-[3-[(E)-N-[(E)-1-[3-(carboxymethyl)-2,2-dimethylcyclobutyl]ethylideneamino]-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 210.5
[M+Na]+ 387.22542 206.9
[M+NH4]+ 382.27002 208.5
[M+K]+ 403.19936 203.4
[M-H]- 363.22892 205.0
[M+Na-2H]- 385.21087 206.1
[M]+ 364.23565 206.0
[M]- 364.23675 206.0
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.