CID 135417159

Indolmycin

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C[C@@H]([C@H]1C(=O)NC(=NC)O1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1
InChIKey
GNTVWGDQPXCYBV-PELKAZGASA-N
Compound name
(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

367
Patents

257.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.1
[M+Na]+ 280.10564 166.6
[M-H]- 256.10914 163.3
[M+NH4]+ 275.15024 174.8
[M+K]+ 296.07958 162.9
[M+H-H2O]+ 240.11368 150.9
[M+HCOO]- 302.11462 178.2
[M+CH3COO]- 316.13027 170.1
[M+Na-2H]- 278.09109 160.1
[M]+ 257.11587 157.3
[M]- 257.11697 157.3
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.