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]+ 282.112476 164.0
[M+Na]+ 304.094418 173.7
[M-H]- 280.097924 167.6
[M+NH4]+ 299.139023 182.1
[M+K]+ 320.068358 168.9
[M+H-H2O]+ 264.102460 157.3
[M+HCOO]- 326.103401 183.8
[M+CH3COO]- 340.119051 199.3
[M+Na-2H]- 302.079866 167.6
[M]+ 281.10465142 167.9
[M]- 281.10574858 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.