CID 9845566

Sr13668

Structural Information

Molecular Formula
C25H22N2O5
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC3=C(C4=C(C=C23)C5=C(N4)C=CC(=C5)C(=O)OCC)OC
InChI
InChI=1S/C25H22N2O5/c1-4-31-24(28)13-6-8-19-15(10-13)17-12-18-16-11-14(25(29)32-5-2)7-9-20(16)27-22(18)23(30-3)21(17)26-19/h6-12,26-27H,4-5H2,1-3H3
InChIKey
BMTPVPNVQOYGAP-UHFFFAOYSA-N
Compound name
diethyl 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

466
Patents

430.15286 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16014 203.9
[M+Na]+ 453.14208 214.7
[M-H]- 429.14558 208.2
[M+NH4]+ 448.18668 217.5
[M+K]+ 469.11602 208.7
[M+H-H2O]+ 413.15012 196.3
[M+HCOO]- 475.15106 220.7
[M+CH3COO]- 489.16671 213.5
[M+Na-2H]- 451.12753 205.2
[M]+ 430.15231 213.8
[M]- 430.15341 213.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe