CID 161359

Baeocystin(1-)

Structural Information

Molecular Formula
C11H15N2O4P
SMILES
CNCCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O
InChI
InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)
InChIKey
WTPBXXCVZZZXKR-UHFFFAOYSA-N
Compound name
[3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

525
Patents

270.07693 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08421 159.6
[M+Na]+ 293.06615 167.2
[M-H]- 269.06965 158.2
[M+NH4]+ 288.11075 175.7
[M+K]+ 309.04009 163.6
[M+H-H2O]+ 253.07419 151.2
[M+HCOO]- 315.07513 184.9
[M+CH3COO]- 329.09078 192.0
[M+Na-2H]- 291.05160 163.3
[M]+ 270.07638 161.4
[M]- 270.07748 161.4
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.