CID 507877

Schembl6445792

Structural Information

Molecular Formula
C25H26N4O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=C3C(=O)N(C)C)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H26N4O4/c1-16-15-28(23(31)17-8-5-4-6-9-17)12-13-29(16)25(33)22(30)20-14-26-21-18(20)10-7-11-19(21)24(32)27(2)3/h4-11,14,16,26H,12-13,15H2,1-3H3/t16-/m1/s1
InChIKey
VLEYXRJLAVDRFX-MRXNPFEDSA-N
Compound name
3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-N,N-dimethyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

446.1954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20268 205.7
[M+Na]+ 469.18462 209.4
[M-H]- 445.18812 212.2
[M+NH4]+ 464.22922 212.0
[M+K]+ 485.15856 205.3
[M+H-H2O]+ 429.19266 194.9
[M+HCOO]- 491.19360 218.7
[M+CH3COO]- 505.20925 234.9
[M+Na-2H]- 467.17007 201.7
[M]+ 446.19485 204.7
[M]- 446.19595 204.7
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.