CID 3060300

1h-indole-2-carboxylic acid, 3-methoxy-1-(3-((1-methylethyl)amino)propyl)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CC(C)NCCCN1C2=CC=CC=C2C(=C1C(=O)OC)OC
InChI
InChI=1S/C17H24N2O3/c1-12(2)18-10-7-11-19-14-9-6-5-8-13(14)16(21-3)15(19)17(20)22-4/h5-6,8-9,12,18H,7,10-11H2,1-4H3
InChIKey
XDHCPJYMBBPNCJ-UHFFFAOYSA-N
Compound name
methyl 3-methoxy-1-[3-(propan-2-ylamino)propyl]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.17868 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 173.4
[M+Na]+ 327.167898 181.0
[M-H]- 303.171404 176.9
[M+NH4]+ 322.212503 190.2
[M+K]+ 343.141838 178.3
[M+H-H2O]+ 287.175940 165.9
[M+HCOO]- 349.176881 195.8
[M+CH3COO]- 363.192531 209.8
[M+Na-2H]- 325.153346 175.0
[M]+ 304.17813142 180.3
[M]- 304.17922858 180.3
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.