CID 38635

40713-82-4

Structural Information

Molecular Formula
C22H29N3O
SMILES
CC(C)(C)NCCC1(C2=CC=CC=C2N(C1=O)N(C)C)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O/c1-21(2,3)23-16-15-22(17-11-7-6-8-12-17)18-13-9-10-14-19(18)25(20(22)26)24(4)5/h6-14,23H,15-16H2,1-5H3
InChIKey
GMOWDNZRRJEKQQ-UHFFFAOYSA-N
Compound name
3-[2-(tert-butylamino)ethyl]-1-(dimethylamino)-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 187.7
[M+Na]+ 374.22027 193.8
[M-H]- 350.22377 195.1
[M+NH4]+ 369.26487 204.5
[M+K]+ 390.19421 189.8
[M+H-H2O]+ 334.22831 179.3
[M+HCOO]- 396.22925 208.5
[M+CH3COO]- 410.24490 223.5
[M+Na-2H]- 372.20572 191.3
[M]+ 351.23050 189.7
[M]- 351.23160 189.7
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.