CID 5357923

66421-54-3

Structural Information

Molecular Formula
C16H22N2O6
SMILES
C1C(CCC(C1)CNC(=O)/C=C\C(=O)O)CNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C16H22N2O6/c19-13(5-7-15(21)22)17-9-11-1-2-12(4-3-11)10-18-14(20)6-8-16(23)24/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b7-5-,8-6-
InChIKey
NLXZJJUUIBJWKI-SFECMWDFSA-N
Compound name
(Z)-4-[[4-[[[(Z)-3-carboxyprop-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

338.1478 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15508 179.0
[M+Na]+ 361.13702 181.4
[M+NH4]+ 356.18162 180.3
[M+K]+ 377.11096 180.0
[M-H]- 337.14052 175.3
[M+Na-2H]- 359.12247 176.5
[M]+ 338.14725 177.1
[M]- 338.14835 177.1
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.