CID 389560

Nsc685865

Structural Information

Molecular Formula
C20H16N2O6
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C20H16N2O6/c1-3-28-20(25)17-10-15-16(21-17)9-8-14(11(2)23)18(15)19(24)12-4-6-13(7-5-12)22(26)27/h4-10,21H,3H2,1-2H3
InChIKey
WRARGOMTFVQXBJ-UHFFFAOYSA-N
Compound name
ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.10083 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10811 186.3
[M+Na]+ 403.09005 192.4
[M-H]- 379.09355 192.1
[M+NH4]+ 398.13465 197.3
[M+K]+ 419.06399 184.7
[M+H-H2O]+ 363.09809 182.5
[M+HCOO]- 425.09903 206.7
[M+CH3COO]- 439.11468 210.8
[M+Na-2H]- 401.07550 188.3
[M]+ 380.10028 188.5
[M]- 380.10138 188.5
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.