CID 28933

18176-31-3

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN(C)N1C2=CC=CC=C2C(C1=O)(CCN)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O/c1-20(2)21-16-11-7-6-10-15(16)18(12-13-19,17(21)22)14-8-4-3-5-9-14/h3-11H,12-13,19H2,1-2H3
InChIKey
OIKOKZYRYAPSJP-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 169.7
[M+Na]+ 318.15768 177.3
[M-H]- 294.16118 177.1
[M+NH4]+ 313.20228 188.4
[M+K]+ 334.13162 173.0
[M+H-H2O]+ 278.16572 161.3
[M+HCOO]- 340.16666 192.9
[M+CH3COO]- 354.18231 211.2
[M+Na-2H]- 316.14313 173.3
[M]+ 295.16791 169.9
[M]- 295.16901 169.9
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

patents stripe