CID 453383

138863-11-3

Structural Information

Molecular Formula
C22H27N5O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC=C4OC
InChI
InChI=1S/C22H27N5O2/c1-15(2)24-18-7-5-9-23-21(18)26-10-12-27(13-11-26)22(28)19-14-16-17(25-19)6-4-8-20(16)29-3/h4-9,14-15,24-25H,10-13H2,1-3H3
InChIKey
HEMXKPBDFPBERH-UHFFFAOYSA-N
Compound name
(4-methoxy-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.21646 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22374 195.9
[M+Na]+ 416.20568 201.0
[M-H]- 392.20918 199.8
[M+NH4]+ 411.25028 202.9
[M+K]+ 432.17962 194.7
[M+H-H2O]+ 376.21372 184.1
[M+HCOO]- 438.21466 209.1
[M+CH3COO]- 452.23031 202.9
[M+Na-2H]- 414.19113 195.6
[M]+ 393.21591 193.7
[M]- 393.21701 193.7
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.