CID 465116

Methylethyl 3-formylcarbazolecarboxylate

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC(C)OC(=O)C1=CC(=CC2=C1NC3=CC=CC=C32)C=O
InChI
InChI=1S/C17H15NO3/c1-10(2)21-17(20)14-8-11(9-19)7-13-12-5-3-4-6-15(12)18-16(13)14/h3-10,18H,1-2H3
InChIKey
OPOXRRQZPVWLOW-UHFFFAOYSA-N
Compound name
propan-2-yl 3-formyl-9H-carbazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.0
[M+Na]+ 304.09442 173.7
[M-H]- 280.09792 167.6
[M+NH4]+ 299.13902 182.1
[M+K]+ 320.06836 168.9
[M+H-H2O]+ 264.10246 157.3
[M+HCOO]- 326.10340 183.8
[M+CH3COO]- 340.11905 199.3
[M+Na-2H]- 302.07987 167.6
[M]+ 281.10465 167.9
[M]- 281.10575 167.9
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

No patent data available for this compound.