CID 37695

37129-56-9

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCN(CC)CCN1C2=CC=CC=C2C(C1=O)(C)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-4-22(5-2)15-16-23-19-14-10-9-13-18(19)21(3,20(23)24)17-11-7-6-8-12-17/h6-14H,4-5,15-16H2,1-3H3
InChIKey
JGGLNMGKARGJLW-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-3-methyl-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 179.8
[M+Na]+ 345.19372 186.8
[M-H]- 321.19722 187.1
[M+NH4]+ 340.23832 197.9
[M+K]+ 361.16766 182.2
[M+H-H2O]+ 305.20176 170.9
[M+HCOO]- 367.20270 201.5
[M+CH3COO]- 381.21835 215.7
[M+Na-2H]- 343.17917 182.0
[M]+ 322.20395 182.5
[M]- 322.20505 182.5
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.