CID 37691

37129-54-7

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCC1(C2=CC=CC=C2N(C1=O)CCCNCC)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-3-21(17-11-6-5-7-12-17)18-13-8-9-14-19(18)23(20(21)24)16-10-15-22-4-2/h5-9,11-14,22H,3-4,10,15-16H2,1-2H3
InChIKey
OEYLIIJXHILFCI-UHFFFAOYSA-N
Compound name
3-ethyl-1-[3-(ethylamino)propyl]-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 179.4
[M+Na]+ 345.19372 186.4
[M-H]- 321.19722 185.3
[M+NH4]+ 340.23832 197.0
[M+K]+ 361.16766 180.4
[M+H-H2O]+ 305.20176 170.8
[M+HCOO]- 367.20270 200.7
[M+CH3COO]- 381.21835 212.4
[M+Na-2H]- 343.17917 182.5
[M]+ 322.20395 181.0
[M]- 322.20505 181.0
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.