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 199.8
[M+Na]+ 387.22542 199.0
[M-H]- 363.22892 204.5
[M+NH4]+ 382.27002 201.8
[M+K]+ 403.19936 204.0
[M+H-H2O]+ 347.23346 185.0
[M+HCOO]- 409.23440 212.6
[M+CH3COO]- 423.25005 233.2
[M+Na-2H]- 385.21087 193.1
[M]+ 364.23565 216.1
[M]- 364.23675 216.1
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.