CID 3071688

Brn 5466757

Structural Information

Molecular Formula
C30H28N4O5
SMILES
CC1=CC2=C(C=C1)N(C(=C2C)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C30H28N4O5/c1-19-11-16-26-25(18-19)20(2)28(33(26)21-12-14-22(15-13-21)34(38)39)31-27(35)10-4-3-7-17-32-29(36)23-8-5-6-9-24(23)30(32)37/h5-6,8-9,11-16,18H,3-4,7,10,17H2,1-2H3,(H,31,35)
InChIKey
JBWNPYNELPDCKB-UHFFFAOYSA-N
Compound name
N-[3,5-dimethyl-1-(4-nitrophenyl)indol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.206 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.21328 230.1
[M+Na]+ 547.19522 235.1
[M-H]- 523.19872 240.0
[M+NH4]+ 542.23982 236.9
[M+K]+ 563.16916 224.6
[M+H-H2O]+ 507.20326 223.7
[M+HCOO]- 569.20420 249.4
[M+CH3COO]- 583.21985 245.7
[M+Na-2H]- 545.18067 229.2
[M]+ 524.20545 233.6
[M]- 524.20655 233.6
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.