CID 47097

3-aminocarbazole-9-carboxylic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCN(CC)CCOC(=O)N1C2=C(C=C(C=C2)N)C3=CC=CC=C31
InChI
InChI=1S/C19H23N3O2/c1-3-21(4-2)11-12-24-19(23)22-17-8-6-5-7-15(17)16-13-14(20)9-10-18(16)22/h5-10,13H,3-4,11-12,20H2,1-2H3
InChIKey
UMLFVRLFYOMHDK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-aminocarbazole-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 178.7
[M+Na]+ 348.16824 186.3
[M-H]- 324.17174 183.9
[M+NH4]+ 343.21284 195.5
[M+K]+ 364.14218 182.5
[M+H-H2O]+ 308.17628 170.3
[M+HCOO]- 370.17722 201.8
[M+CH3COO]- 384.19287 217.6
[M+Na-2H]- 346.15369 182.1
[M]+ 325.17847 183.6
[M]- 325.17957 183.6
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.