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 186.0
[M+Na]+ 382.17372 195.6
[M+NH4]+ 377.21832 190.8
[M+K]+ 398.14766 192.7
[M-H]- 358.17722 188.4
[M+Na-2H]- 380.15917 188.4
[M]+ 359.18395 187.6
[M]- 359.18505 187.6
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.