CID 9820908

Diethyl (6-chloro-9h-carbazol-2-yl)methylmalonate

Structural Information

Molecular Formula
C20H20ClNO4
SMILES
CCOC(=O)C(C)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)OCC
InChI
InChI=1S/C20H20ClNO4/c1-4-25-18(23)20(3,19(24)26-5-2)12-6-8-14-15-11-13(21)7-9-16(15)22-17(14)10-12/h6-11,22H,4-5H2,1-3H3
InChIKey
VCWSZWDBRMAJJJ-UHFFFAOYSA-N
Compound name
diethyl 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

373.1081 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11538 188.3
[M+Na]+ 396.09732 197.5
[M-H]- 372.10082 191.5
[M+NH4]+ 391.14192 203.5
[M+K]+ 412.07126 191.9
[M+H-H2O]+ 356.10536 182.2
[M+HCOO]- 418.10630 201.0
[M+CH3COO]- 432.12195 213.6
[M+Na-2H]- 394.08277 191.0
[M]+ 373.10755 196.3
[M]- 373.10865 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

patents stripe