CID 489435

1-[5-(ethoxycarbonylmethoxy)indolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C25H31N5O4
SMILES
CCOC(=O)COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)NC(C)C
InChI
InChI=1S/C25H31N5O4/c1-4-33-23(31)16-34-19-7-8-20-18(14-19)15-22(28-20)25(32)30-12-10-29(11-13-30)24-21(27-17(2)3)6-5-9-26-24/h5-9,14-15,17,27-28H,4,10-13,16H2,1-3H3
InChIKey
MVMYXNGMBGAIST-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.2376 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.24488 211.9
[M+Na]+ 488.22682 214.9
[M-H]- 464.23032 215.4
[M+NH4]+ 483.27142 215.5
[M+K]+ 504.20076 209.7
[M+H-H2O]+ 448.23486 199.7
[M+HCOO]- 510.23580 223.5
[M+CH3COO]- 524.25145 235.4
[M+Na-2H]- 486.21227 209.6
[M]+ 465.23705 212.0
[M]- 465.23815 212.0
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.