CID 219095

Gedocarnil

Structural Information

Molecular Formula
C23H21ClN2O4
SMILES
CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC=C3OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H21ClN2O4/c1-13(2)29-23(27)22-16(12-28-3)20-18(11-25-22)26-17-5-4-6-19(21(17)20)30-15-9-7-14(24)8-10-15/h4-11,13,26H,12H2,1-3H3
InChIKey
SLYDYLLJUXFULK-UHFFFAOYSA-N
Compound name
propan-2-yl 5-(4-chlorophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

423
Patents

424.119 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.126276 200.1
[M+Na]+ 447.108218 209.9
[M-H]- 423.111724 205.4
[M+NH4]+ 442.152823 211.5
[M+K]+ 463.082158 203.5
[M+H-H2O]+ 407.116260 191.0
[M+HCOO]- 469.117201 212.9
[M+CH3COO]- 483.132851 209.5
[M+Na-2H]- 445.093666 200.9
[M]+ 424.11845142 208.9
[M]- 424.11954858 208.9
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