CID 150455

N-methyl-valyl-amiclenomycin

Structural Information

Molecular Formula
C16H27N3O3
SMILES
CC(CC1C=CC(C=C1)N)[C@](C(=O)CCCC(=O)O)(N)NC
InChI
InChI=1S/C16H27N3O3/c1-11(10-12-6-8-13(17)9-7-12)16(18,19-2)14(20)4-3-5-15(21)22/h6-9,11-13,19H,3-5,10,17-18H2,1-2H3,(H,21,22)/t11?,12?,13?,16-/m0/s1
InChIKey
IYJXSJJCXYNKBU-NPQGJGQUSA-N
Compound name
(6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

309.20523 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21251 175.5
[M+Na]+ 332.19445 179.6
[M+NH4]+ 327.23905 179.2
[M+K]+ 348.16839 177.6
[M-H]- 308.19795 174.9
[M+Na-2H]- 330.17990 176.0
[M]+ 309.20468 175.1
[M]- 309.20578 175.1
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

No patent data available for this compound.