CID 3071690

Brn 5463627

Structural Information

Molecular Formula
C32H33N3O3
SMILES
CC(C)C1=C(N(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)CCCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C32H33N3O3/c1-22(2)29-26-18-11-12-19-27(26)35(23-14-6-5-7-15-23)30(29)33-28(36)20-8-3-4-13-21-34-31(37)24-16-9-10-17-25(24)32(34)38/h5-7,9-12,14-19,22H,3-4,8,13,20-21H2,1-2H3,(H,33,36)
InChIKey
CZSLPCYTXBNIDG-UHFFFAOYSA-N
Compound name
7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.2522 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.25948 229.1
[M+Na]+ 530.24142 234.8
[M-H]- 506.24492 238.3
[M+NH4]+ 525.28602 237.7
[M+K]+ 546.21536 227.2
[M+H-H2O]+ 490.24946 218.3
[M+HCOO]- 552.25040 246.5
[M+CH3COO]- 566.26605 236.1
[M+Na-2H]- 528.22687 224.2
[M]+ 507.25165 233.9
[M]- 507.25275 233.9
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.