CID 3071687

Brn 5466750

Structural Information

Molecular Formula
C30H28N4O5
SMILES
CC1=C(N(C2=CC=CC=C12)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CCCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C30H28N4O5/c1-20-23-10-7-8-13-26(23)33(21-15-17-22(18-16-21)34(38)39)28(20)31-27(35)14-4-2-3-9-19-32-29(36)24-11-5-6-12-25(24)30(32)37/h5-8,10-13,15-18H,2-4,9,14,19H2,1H3,(H,31,35)
InChIKey
FDYHXQPTLGLPOH-UHFFFAOYSA-N
Compound name
7-(1,3-dioxoisoindol-2-yl)-N-[3-methyl-1-(4-nitrophenyl)indol-2-yl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.206 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.21328 229.2
[M+Na]+ 547.19522 233.3
[M-H]- 523.19872 238.7
[M+NH4]+ 542.23982 235.7
[M+K]+ 563.16916 222.8
[M+H-H2O]+ 507.20326 222.5
[M+HCOO]- 569.20420 248.5
[M+CH3COO]- 583.21985 244.4
[M+Na-2H]- 545.18067 229.0
[M]+ 524.20545 232.2
[M]- 524.20655 232.2
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.