CID 39260

42773-58-0

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CNCCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OC
InChI
InChI=1S/C19H22N2O2/c1-20-13-8-14-21-17-12-7-6-11-16(17)19(23-2,18(21)22)15-9-4-3-5-10-15/h3-7,9-12,20H,8,13-14H2,1-2H3
InChIKey
QJLVSTXEGXHNHV-UHFFFAOYSA-N
Compound name
3-methoxy-1-[3-(methylamino)propyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 173.5
[M+Na]+ 333.15734 181.2
[M-H]- 309.16084 179.8
[M+NH4]+ 328.20194 191.5
[M+K]+ 349.13128 176.3
[M+H-H2O]+ 293.16538 165.1
[M+HCOO]- 355.16632 195.7
[M+CH3COO]- 369.18197 208.5
[M+Na-2H]- 331.14279 177.8
[M]+ 310.16757 175.8
[M]- 310.16867 175.8
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.