CID 379249

Nsc663663

Structural Information

Molecular Formula
C26H28N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2CCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O
InChI
InChI=1S/C26H28N2O2/c29-19-21-17-27(25-13-7-5-11-23(21)25)15-9-3-1-2-4-10-16-28-18-22(20-30)24-12-6-8-14-26(24)28/h5-8,11-14,17-20H,1-4,9-10,15-16H2
InChIKey
AWXYINCQJYFKDG-UHFFFAOYSA-N
Compound name
1-[8-(3-formylindol-1-yl)octyl]indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

400.2151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22238 202.2
[M+Na]+ 423.20432 211.7
[M-H]- 399.20782 208.5
[M+NH4]+ 418.24892 216.3
[M+K]+ 439.17826 203.5
[M+H-H2O]+ 383.21236 192.4
[M+HCOO]- 445.21330 224.2
[M+CH3COO]- 459.22895 212.3
[M+Na-2H]- 421.18977 202.5
[M]+ 400.21455 210.9
[M]- 400.21565 210.9
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

patents stripe