CID 60418

Ns00126111

Structural Information

Molecular Formula
C30H22N4O4
SMILES
CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=COC8=CC=CC=C87
InChI
InChI=1S/C30H22N4O4/c1-15-12-31-27-23(35)10-25-30(26(15)27)11-17(30)13-34(25)29(37)22-9-16-8-18(6-7-21(16)33-22)32-28(36)20-14-38-24-5-3-2-4-19(20)24/h2-10,12,14,17,31,33H,11,13H2,1H3,(H,32,36)
InChIKey
VSLQPDSITGTNBS-UHFFFAOYSA-N
Compound name
N-[2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-1H-indol-5-yl]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.1641 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.171376 205.1
[M+Na]+ 525.153318 216.3
[M-H]- 501.156824 217.3
[M+NH4]+ 520.197923 213.8
[M+K]+ 541.127258 208.9
[M+H-H2O]+ 485.161360 201.4
[M+HCOO]- 547.162301 218.8
[M+CH3COO]- 561.177951 213.8
[M+Na-2H]- 523.138766 201.9
[M]+ 502.16355142 212.7
[M]- 502.16464858 212.7
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.