CID 489445

N-ethyl-2-[4-[(5-methoxy-1h-indol-2-yl)methyl]piperazin-1-yl]pyridin-3-amine

Structural Information

Molecular Formula
C21H27N5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC4=C(N3)C=CC(=C4)OC
InChI
InChI=1S/C21H27N5O/c1-3-22-20-5-4-8-23-21(20)26-11-9-25(10-12-26)15-17-13-16-14-18(27-2)6-7-19(16)24-17/h4-8,13-14,22,24H,3,9-12,15H2,1-2H3
InChIKey
CRHWQQMURDORSL-UHFFFAOYSA-N
Compound name
N-ethyl-2-[4-[(5-methoxy-1H-indol-2-yl)methyl]piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.22156 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22884 189.5
[M+Na]+ 388.21078 195.7
[M-H]- 364.21428 193.1
[M+NH4]+ 383.25538 197.9
[M+K]+ 404.18472 188.0
[M+H-H2O]+ 348.21882 177.3
[M+HCOO]- 410.21976 204.6
[M+CH3COO]- 424.23541 197.2
[M+Na-2H]- 386.19623 191.5
[M]+ 365.22101 187.4
[M]- 365.22211 187.4
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.