CID 39262

42773-59-1

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCNCCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OC
InChI
InChI=1S/C20H24N2O2/c1-3-21-14-9-15-22-18-13-8-7-12-17(18)20(24-2,19(22)23)16-10-5-4-6-11-16/h4-8,10-13,21H,3,9,14-15H2,1-2H3
InChIKey
HRBHNJSKNAQQAH-UHFFFAOYSA-N
Compound name
1-[3-(ethylamino)propyl]-3-methoxy-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 178.0
[M+Na]+ 347.172998 185.3
[M-H]- 323.176504 184.1
[M+NH4]+ 342.217603 195.4
[M+K]+ 363.146938 180.1
[M+H-H2O]+ 307.181040 169.4
[M+HCOO]- 369.181981 199.8
[M+CH3COO]- 383.197631 211.5
[M+Na-2H]- 345.158446 181.8
[M]+ 324.18323142 180.6
[M]- 324.18432858 180.6
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.