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]+ 357.21728 187.8
[M+Na]+ 379.19922 194.3
[M-H]- 355.20272 192.7
[M+NH4]+ 374.24382 203.8
[M+K]+ 395.17316 190.7
[M+H-H2O]+ 339.20726 179.6
[M+HCOO]- 401.20820 207.2
[M+CH3COO]- 415.22385 223.0
[M+Na-2H]- 377.18467 188.0
[M]+ 356.20945 193.4
[M]- 356.21055 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.