CID 45600

63938-66-9

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1=C(C=CC2=C1C(=C(N2)C)CCC3CCNC3)OC
InChI
InChI=1S/C17H24N2O/c1-11-16(20-3)7-6-15-17(11)14(12(2)19-15)5-4-13-8-9-18-10-13/h6-7,13,18-19H,4-5,8-10H2,1-3H3
InChIKey
SSDCUVJVZRDTLF-UHFFFAOYSA-N
Compound name
5-methoxy-2,4-dimethyl-3-(2-pyrrolidin-3-ylethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 166.7
[M+Na]+ 295.17809 175.0
[M-H]- 271.18159 169.6
[M+NH4]+ 290.22269 184.3
[M+K]+ 311.15203 169.0
[M+H-H2O]+ 255.18613 159.5
[M+HCOO]- 317.18707 184.7
[M+CH3COO]- 331.20272 177.7
[M+Na-2H]- 293.16354 165.9
[M]+ 272.18832 166.3
[M]- 272.18942 166.3
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.