CID 381741

Nsc668601

Structural Information

Molecular Formula
C23H22N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2CCCCCN3C=C(C4=CC=CC=C43)C=O)C=O
InChI
InChI=1S/C23H22N2O2/c26-16-18-14-24(22-10-4-2-8-20(18)22)12-6-1-7-13-25-15-19(17-27)21-9-3-5-11-23(21)25/h2-5,8-11,14-17H,1,6-7,12-13H2
InChIKey
VAAJFERPENUVEB-UHFFFAOYSA-N
Compound name
1-[5-(3-formylindol-1-yl)pentyl]indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17540 188.4
[M+Na]+ 381.15734 199.4
[M-H]- 357.16084 195.4
[M+NH4]+ 376.20194 204.4
[M+K]+ 397.13128 191.9
[M+H-H2O]+ 341.16538 179.3
[M+HCOO]- 403.16632 211.6
[M+CH3COO]- 417.18197 199.9
[M+Na-2H]- 379.14279 190.4
[M]+ 358.16757 196.3
[M]- 358.16867 196.3
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.