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]+ 323.211776 179.4
[M+Na]+ 345.193718 186.4
[M-H]- 321.197224 185.3
[M+NH4]+ 340.238323 197.0
[M+K]+ 361.167658 180.4
[M+H-H2O]+ 305.201760 170.8
[M+HCOO]- 367.202701 200.7
[M+CH3COO]- 381.218351 212.4
[M+Na-2H]- 343.179166 182.5
[M]+ 322.20395142 181.0
[M]- 322.20504858 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.