CID 3071685

Brn 5467644

Structural Information

Molecular Formula
C31H30N4O6
SMILES
CC1=C(N(C2=C1C=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CCCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C31H30N4O6/c1-20-26-19-23(41-2)16-17-27(26)34(21-12-14-22(15-13-21)35(39)40)29(20)32-28(36)11-5-3-4-8-18-33-30(37)24-9-6-7-10-25(24)31(33)38/h6-7,9-10,12-17,19H,3-5,8,11,18H2,1-2H3,(H,32,36)
InChIKey
NJSQTKAMJZJNKD-UHFFFAOYSA-N
Compound name
7-(1,3-dioxoisoindol-2-yl)-N-[5-methoxy-3-methyl-1-(4-nitrophenyl)indol-2-yl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.21655 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.22383 235.1
[M+Na]+ 577.20577 248.0
[M+NH4]+ 572.25037 239.1
[M+K]+ 593.17971 246.7
[M-H]- 553.20927 240.7
[M+Na-2H]- 575.19122 238.8
[M]+ 554.21600 238.2
[M]- 554.21710 238.2
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.