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]+ 273.196146 166.7
[M+Na]+ 295.178088 175.0
[M-H]- 271.181594 169.6
[M+NH4]+ 290.222693 184.3
[M+K]+ 311.152028 169.0
[M+H-H2O]+ 255.186130 159.5
[M+HCOO]- 317.187071 184.7
[M+CH3COO]- 331.202721 177.7
[M+Na-2H]- 293.163536 165.9
[M]+ 272.18832142 166.3
[M]- 272.18941858 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.