CID 19027

3515-52-4

Structural Information

Molecular Formula
C15H20N2O
SMILES
COC1=CC2=C(C=C1)NC=C2CC3CCNCC3
InChI
InChI=1S/C15H20N2O/c1-18-13-2-3-15-14(9-13)12(10-17-15)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3
InChIKey
URURNXZHHMVWSK-UHFFFAOYSA-N
Compound name
5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

244.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 156.8
[M+Na]+ 267.146778 163.2
[M-H]- 243.150284 158.5
[M+NH4]+ 262.191383 172.8
[M+K]+ 283.120718 157.3
[M+H-H2O]+ 227.154820 148.6
[M+HCOO]- 289.155761 173.1
[M+CH3COO]- 303.171411 167.1
[M+Na-2H]- 265.132226 160.2
[M]+ 244.15701142 152.5
[M]- 244.15810858 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe