CID 3071689

Brn 5463305

Structural Information

Molecular Formula
C31H31N3O3
SMILES
CCC1=C(N(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)CCCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C31H31N3O3/c1-2-23-24-16-11-12-19-27(24)34(22-14-6-5-7-15-22)29(23)32-28(35)20-8-3-4-13-21-33-30(36)25-17-9-10-18-26(25)31(33)37/h5-7,9-12,14-19H,2-4,8,13,20-21H2,1H3,(H,32,35)
InChIKey
KIXWYPDWUYQMEY-UHFFFAOYSA-N
Compound name
7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.23654 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.24382 224.7
[M+Na]+ 516.22576 231.3
[M-H]- 492.22926 234.0
[M+NH4]+ 511.27036 234.0
[M+K]+ 532.19970 223.2
[M+H-H2O]+ 476.23380 213.8
[M+HCOO]- 538.23474 243.5
[M+CH3COO]- 552.25039 232.2
[M+Na-2H]- 514.21121 221.3
[M]+ 493.23599 229.7
[M]- 493.23709 229.7
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.