CID 3071684

Brn 5462592

Structural Information

Molecular Formula
C30H29N3O3
SMILES
CC1=C(N(C2=CC=CC=C12)C3=CC=CC=C3)NC(=O)CCCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C30H29N3O3/c1-21-23-15-10-11-18-26(23)33(22-13-5-4-6-14-22)28(21)31-27(34)19-7-2-3-12-20-32-29(35)24-16-8-9-17-25(24)30(32)36/h4-6,8-11,13-18H,2-3,7,12,19-20H2,1H3,(H,31,34)
InChIKey
JUTCHYCKLJUNBA-UHFFFAOYSA-N
Compound name
7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.2209 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.22818 220.4
[M+Na]+ 502.21012 227.4
[M-H]- 478.21362 229.9
[M+NH4]+ 497.25472 230.2
[M+K]+ 518.18406 219.6
[M+H-H2O]+ 462.21816 209.6
[M+HCOO]- 524.21910 239.6
[M+CH3COO]- 538.23475 228.4
[M+Na-2H]- 500.19557 217.4
[M]+ 479.22035 225.1
[M]- 479.22145 225.1
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.