CID 37701

37129-59-2

Structural Information

Molecular Formula
C22H28N2O
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(C1=O)(C)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O/c1-4-23(5-2)16-11-17-24-20-15-10-9-14-19(20)22(3,21(24)25)18-12-7-6-8-13-18/h6-10,12-15H,4-5,11,16-17H2,1-3H3
InChIKey
OSZIAJRNFLTDJD-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-3-methyl-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 184.3
[M+Na]+ 359.20937 190.9
[M-H]- 335.21287 191.5
[M+NH4]+ 354.25397 201.9
[M+K]+ 375.18331 186.1
[M+H-H2O]+ 319.21741 175.3
[M+HCOO]- 381.21835 205.7
[M+CH3COO]- 395.23400 218.7
[M+Na-2H]- 357.19482 186.1
[M]+ 336.21960 187.4
[M]- 336.22070 187.4
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.