CID 213587

26766-05-2

Structural Information

Molecular Formula
C19H27N3O2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OC)CCN3CCC(CC3)NC(=O)C
InChI
InChI=1S/C19H27N3O2/c1-13-17(18-12-16(24-3)4-5-19(18)20-13)8-11-22-9-6-15(7-10-22)21-14(2)23/h4-5,12,15,20H,6-11H2,1-3H3,(H,21,23)
InChIKey
GLYFMAIZDDRWSD-UHFFFAOYSA-N
Compound name
N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.21033 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.217606 180.9
[M+Na]+ 352.199548 186.7
[M-H]- 328.203054 184.2
[M+NH4]+ 347.244153 194.2
[M+K]+ 368.173488 181.4
[M+H-H2O]+ 312.207590 171.9
[M+HCOO]- 374.208531 197.7
[M+CH3COO]- 388.224181 211.3
[M+Na-2H]- 350.184996 180.8
[M]+ 329.20978142 179.9
[M]- 329.21087858 179.9
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

patents stripe