CID 387488

Nsc681289

Structural Information

Molecular Formula
C14H20N2O5S
SMILES
CN(C)CC(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C
InChI
InChI=1S/C14H20N2O5S/c1-15(2)8-14(18)16-7-10(9-21-22(3,19)20)12-5-4-11(17)6-13(12)16/h4-6,10,17H,7-9H2,1-3H3
InChIKey
KKKITQIRWWYLKQ-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)acetyl]-6-hydroxy-2,3-dihydroindol-3-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10928 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11656 173.5
[M+Na]+ 351.09850 180.7
[M-H]- 327.10200 176.9
[M+NH4]+ 346.14310 189.4
[M+K]+ 367.07244 179.0
[M+H-H2O]+ 311.10654 167.7
[M+HCOO]- 373.10748 188.0
[M+CH3COO]- 387.12313 208.4
[M+Na-2H]- 349.08395 174.3
[M]+ 328.10873 180.0
[M]- 328.10983 180.0
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.