CID 13146143

71208-54-3

Structural Information

Molecular Formula
C20H24ClNO4
SMILES
CCOC(=O)C(C)(C1CCC2=C(C1)NC3=C2C=C(C=C3)Cl)C(=O)OCC
InChI
InChI=1S/C20H24ClNO4/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/h7,9,11-12,22H,4-6,8,10H2,1-3H3
InChIKey
XWJZVIIPTMHYNQ-UHFFFAOYSA-N
Compound name
diethyl 2-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-methylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

377.13937 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14665 190.0
[M+Na]+ 400.12859 197.3
[M-H]- 376.13209 192.4
[M+NH4]+ 395.17319 205.0
[M+K]+ 416.10253 191.9
[M+H-H2O]+ 360.13663 184.1
[M+HCOO]- 422.13757 199.9
[M+CH3COO]- 436.15322 214.4
[M+Na-2H]- 398.11404 190.9
[M]+ 377.13882 195.2
[M]- 377.13992 195.2
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