CID 444150

Indole-3-glycerol phosphate

Structural Information

Molecular Formula
C11H14NO6P
SMILES
C1=CC=C2C(=C1)C(=CN2)[C@@H]([C@@H](COP(=O)(O)O)O)O
InChI
InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1
InChIKey
NQEQTYPJSIEPHW-MNOVXSKESA-N
Compound name
[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

1023
Patents

287.05588 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06316 161.4
[M+Na]+ 310.04510 168.2
[M+NH4]+ 305.08970 164.8
[M+K]+ 326.01904 169.5
[M-H]- 286.04860 157.0
[M+Na-2H]- 308.03055 161.7
[M]+ 287.05533 160.4
[M]- 287.05643 160.4
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