CID 39280

2h-indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-ethoxy-3-phenyl-, maleate (1:1)

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCOC1(C2=CC=CC=C2N(C1=O)CCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-4-25-21(17-11-6-5-7-12-17)18-13-8-9-14-19(18)23(20(21)24)16-10-15-22(2)3/h5-9,11-14H,4,10,15-16H2,1-3H3
InChIKey
NPGUTFMIBWQYSD-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3-ethoxy-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.9
[M+Na]+ 361.18865 189.8
[M-H]- 337.19215 190.2
[M+NH4]+ 356.23325 200.3
[M+K]+ 377.16259 185.8
[M+H-H2O]+ 321.19669 173.9
[M+HCOO]- 383.19763 204.8
[M+CH3COO]- 397.21328 217.8
[M+Na-2H]- 359.17410 185.3
[M]+ 338.19888 187.0
[M]- 338.19998 187.0
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.