CID 389555

Nsc685860

Structural Information

Molecular Formula
C23H22N2O4
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4)C(=O)OCC
InChI
InChI=1S/C23H22N2O4/c1-3-28-22(26)20-12-16-10-14(5-7-18(16)24-20)9-15-6-8-19-17(11-15)13-21(25-19)23(27)29-4-2/h5-8,10-13,24-25H,3-4,9H2,1-2H3
InChIKey
RBVJUIQMEHTLLD-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.15796 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16524 194.4
[M+Na]+ 413.14718 203.2
[M-H]- 389.15068 199.2
[M+NH4]+ 408.19178 207.4
[M+K]+ 429.12112 197.0
[M+H-H2O]+ 373.15522 186.3
[M+HCOO]- 435.15616 212.9
[M+CH3COO]- 449.17181 204.1
[M+Na-2H]- 411.13263 194.0
[M]+ 390.15741 200.3
[M]- 390.15851 200.3
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.