CID 489436

2-[[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1h-indol-5-yl]oxy]acetic acid

Structural Information

Molecular Formula
C23H27N5O4
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OCC(=O)O
InChI
InChI=1S/C23H27N5O4/c1-15(2)25-19-4-3-7-24-22(19)27-8-10-28(11-9-27)23(31)20-13-16-12-17(32-14-21(29)30)5-6-18(16)26-20/h3-7,12-13,15,25-26H,8-11,14H2,1-2H3,(H,29,30)
InChIKey
WYGMRYSVBWMGJH-UHFFFAOYSA-N
Compound name
2-[[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.2063 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21358 202.8
[M+Na]+ 460.19552 206.3
[M-H]- 436.19902 205.4
[M+NH4]+ 455.24012 206.8
[M+K]+ 476.16946 200.8
[M+H-H2O]+ 420.20356 191.4
[M+HCOO]- 482.20450 213.7
[M+CH3COO]- 496.22015 228.3
[M+Na-2H]- 458.18097 201.2
[M]+ 437.20575 200.7
[M]- 437.20685 200.7
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.