CID 3039283

1,3-dihydro-1-(2-(dimethylamino)ethyl)-3-methoxy-3-phenyl-2h-indol-2-one hydrochloride hydrate

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CN(C)CCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OC
InChI
InChI=1S/C19H22N2O2/c1-20(2)13-14-21-17-12-8-7-11-16(17)19(23-3,18(21)22)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3
InChIKey
XWJRBJFYLNMLEH-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-methoxy-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 173.7
[M+Na]+ 333.157338 181.5
[M-H]- 309.160844 181.5
[M+NH4]+ 328.201943 192.3
[M+K]+ 349.131278 178.0
[M+H-H2O]+ 293.165380 165.2
[M+HCOO]- 355.166321 196.4
[M+CH3COO]- 369.181971 211.9
[M+Na-2H]- 331.142786 177.3
[M]+ 310.16757142 177.3
[M]- 310.16866858 177.3
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.