CID 29177

18638-94-3

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCN(CC)CCCOC(=O)C1=CC2=C(C=C1)N(C3=C2CCCC3=O)C
InChI
InChI=1S/C21H28N2O3/c1-4-23(5-2)12-7-13-26-21(25)15-10-11-18-17(14-15)16-8-6-9-19(24)20(16)22(18)3/h10-11,14H,4-9,12-13H2,1-3H3
InChIKey
CITHZKQXSUTIGE-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 9-methyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 187.8
[M+Na]+ 379.199218 194.3
[M-H]- 355.202724 192.7
[M+NH4]+ 374.243823 203.8
[M+K]+ 395.173158 190.7
[M+H-H2O]+ 339.207260 179.6
[M+HCOO]- 401.208201 207.2
[M+CH3COO]- 415.223851 223.0
[M+Na-2H]- 377.184666 188.0
[M]+ 356.20945142 193.4
[M]- 356.21054858 193.4
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

No patent data available for this compound.