CID 507878

Schembl6441411

Structural Information

Molecular Formula
C25H26N4O4
SMILES
CCNC(=O)C1=CC=CC2=C1NC=C2C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H26N4O4/c1-3-26-23(31)19-11-7-10-18-20(14-27-21(18)19)22(30)25(33)29-13-12-28(15-16(29)2)24(32)17-8-5-4-6-9-17/h4-11,14,16,27H,3,12-13,15H2,1-2H3,(H,26,31)/t16-/m1/s1
InChIKey
GIZMTAWGTQPIOW-MRXNPFEDSA-N
Compound name
3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-N-ethyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

446.1954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20268 206.6
[M+Na]+ 469.18462 210.1
[M-H]- 445.18812 211.7
[M+NH4]+ 464.22922 212.3
[M+K]+ 485.15856 204.7
[M+H-H2O]+ 429.19266 195.7
[M+HCOO]- 491.19360 219.0
[M+CH3COO]- 505.20925 231.9
[M+Na-2H]- 467.17007 203.2
[M]+ 446.19485 204.3
[M]- 446.19595 204.3
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