CID 381742

Nsc668602

Structural Information

Molecular Formula
C30H36N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2CCCCCCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O
InChI
InChI=1S/C30H36N2O2/c33-23-25-21-31(29-17-11-9-15-27(25)29)19-13-7-5-3-1-2-4-6-8-14-20-32-22-26(24-34)28-16-10-12-18-30(28)32/h9-12,15-18,21-24H,1-8,13-14,19-20H2
InChIKey
ISCYKAGOPIKQFI-UHFFFAOYSA-N
Compound name
1-[12-(3-formylindol-1-yl)dodecyl]indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.27768 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28496 220.2
[M+Na]+ 479.26690 227.7
[M-H]- 455.27040 225.7
[M+NH4]+ 474.31150 231.9
[M+K]+ 495.24084 218.7
[M+H-H2O]+ 439.27494 209.5
[M+HCOO]- 501.27588 240.7
[M+CH3COO]- 515.29153 235.9
[M+Na-2H]- 477.25235 218.3
[M]+ 456.27713 230.1
[M]- 456.27823 230.1
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.