CID 6473868

L-val-ome fumaryl deriv.

Structural Information

Molecular Formula
C16H26N2O6
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)/C=C/C(=O)N[C@@H](C(C)C)C(=O)OC
InChI
InChI=1S/C16H26N2O6/c1-9(2)13(15(21)23-5)17-11(19)7-8-12(20)18-14(10(3)4)16(22)24-6/h7-10,13-14H,1-6H3,(H,17,19)(H,18,20)/b8-7+/t13-,14-/m0/s1
InChIKey
HTFDOYQPKACATJ-SWICKSTGSA-N
Compound name
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobut-2-enoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17908 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18636 183.0
[M+Na]+ 365.16830 184.1
[M-H]- 341.17180 182.1
[M+NH4]+ 360.21290 205.7
[M+K]+ 381.14224 186.0
[M+H-H2O]+ 325.17634 176.3
[M+HCOO]- 387.17728 191.5
[M+CH3COO]- 401.19293 219.0
[M+Na-2H]- 363.15375 176.2
[M]+ 342.17853 186.1
[M]- 342.17963 186.1
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.