CID 507879

3-[[(2r)-4-benzoyl-2-methylpiperazin-1-yl](oxo)acetyl]-n-[2-(diethylamino)ethyl]-1h-indole-7-carboxamide-

Structural Information

Molecular Formula
C29H35N5O4
SMILES
CCN(CC)CCNC(=O)C1=CC=CC2=C1NC=C2C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H35N5O4/c1-4-32(5-2)15-14-30-27(36)23-13-9-12-22-24(18-31-25(22)23)26(35)29(38)34-17-16-33(19-20(34)3)28(37)21-10-7-6-8-11-21/h6-13,18,20,31H,4-5,14-17,19H2,1-3H3,(H,30,36)/t20-/m1/s1
InChIKey
PYQHZJUPDTXCSL-HXUWFJFHSA-N
Compound name
3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-N-[2-(diethylamino)ethyl]-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

517.2689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.27618 225.3
[M+Na]+ 540.25812 226.0
[M-H]- 516.26162 230.9
[M+NH4]+ 535.30272 228.1
[M+K]+ 556.23206 221.6
[M+H-H2O]+ 500.26616 213.5
[M+HCOO]- 562.26710 237.9
[M+CH3COO]- 576.28275 251.5
[M+Na-2H]- 538.24357 220.4
[M]+ 517.26835 224.9
[M]- 517.26945 224.9
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