CID 3075499

1h-indole-2-carboxylic acid, 1-methyl-3-(2-((3-(4-morpholinyl)propyl)amino)-2-oxoethyl)-

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN3CCOCC3
InChI
InChI=1S/C19H25N3O4/c1-21-16-6-3-2-5-14(16)15(18(21)19(24)25)13-17(23)20-7-4-8-22-9-11-26-12-10-22/h2-3,5-6H,4,7-13H2,1H3,(H,20,23)(H,24,25)
InChIKey
BNFSQSKNQRVCAG-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1845 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 185.9
[M+Na]+ 382.17372 190.4
[M-H]- 358.17722 189.5
[M+NH4]+ 377.21832 195.9
[M+K]+ 398.14766 187.4
[M+H-H2O]+ 342.18176 176.6
[M+HCOO]- 404.18270 201.2
[M+CH3COO]- 418.19835 214.8
[M+Na-2H]- 380.15917 186.2
[M]+ 359.18395 186.6
[M]- 359.18505 186.6
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.