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

2
Patents

304.17868 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 173.4
[M+Na]+ 327.16790 181.0
[M-H]- 303.17140 176.9
[M+NH4]+ 322.21250 190.2
[M+K]+ 343.14184 178.3
[M+H-H2O]+ 287.17594 165.9
[M+HCOO]- 349.17688 195.8
[M+CH3COO]- 363.19253 209.8
[M+Na-2H]- 325.15335 175.0
[M]+ 304.17813 180.3
[M]- 304.17923 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.