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

368
Patents

257.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.123696 158.1
[M+Na]+ 280.105638 166.6
[M-H]- 256.109144 163.3
[M+NH4]+ 275.150243 174.8
[M+K]+ 296.079578 162.9
[M+H-H2O]+ 240.113680 150.9
[M+HCOO]- 302.114621 178.2
[M+CH3COO]- 316.130271 170.1
[M+Na-2H]- 278.091086 160.1
[M]+ 257.11587142 157.3
[M]- 257.11696858 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

literature stripe

Patent stripe

patents stripe