CID 489442

1-[6-methoxy-7-methylindolyl-2-carbonyl]-4-(3-ethylamino-2-pyridinyl)piperazine

Structural Information

Molecular Formula
C22H27N5O2
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C(=C(C=C4)OC)C
InChI
InChI=1S/C22H27N5O2/c1-4-23-17-6-5-9-24-21(17)26-10-12-27(13-11-26)22(28)18-14-16-7-8-19(29-3)15(2)20(16)25-18/h5-9,14,23,25H,4,10-13H2,1-3H3
InChIKey
OSHWVGMCVMAGAC-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-(6-methoxy-7-methyl-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

393.21646 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22374 197.5
[M+Na]+ 416.20568 203.9
[M-H]- 392.20918 201.6
[M+NH4]+ 411.25028 204.8
[M+K]+ 432.17962 196.8
[M+H-H2O]+ 376.21372 185.7
[M+HCOO]- 438.21466 211.6
[M+CH3COO]- 452.23031 204.8
[M+Na-2H]- 414.19113 197.3
[M]+ 393.21591 196.2
[M]- 393.21701 196.2
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