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]+ 337.227426 184.3
[M+Na]+ 359.209368 190.9
[M-H]- 335.212874 191.5
[M+NH4]+ 354.253973 201.9
[M+K]+ 375.183308 186.1
[M+H-H2O]+ 319.217410 175.3
[M+HCOO]- 381.218351 205.7
[M+CH3COO]- 395.234001 218.7
[M+Na-2H]- 357.194816 186.1
[M]+ 336.21960142 187.4
[M]- 336.22069858 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.