CID 3080044

Brn 4269117

Structural Information

Molecular Formula
C21H25N3O
SMILES
CC1(CC2=C(C=CC(=O)N2CCN(C)C)C3=C1C4=CC=CC=C4N3)C
InChI
InChI=1S/C21H25N3O/c1-21(2)13-17-15(9-10-18(25)24(17)12-11-23(3)4)20-19(21)14-7-5-6-8-16(14)22-20/h5-10,22H,11-13H2,1-4H3
InChIKey
LYYHJNOOMFAYMG-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethyl]-6,6-dimethyl-5,11-dihydropyrido[3,2-a]carbazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 182.2
[M+Na]+ 358.18899 192.8
[M-H]- 334.19249 186.6
[M+NH4]+ 353.23359 200.4
[M+K]+ 374.16293 186.2
[M+H-H2O]+ 318.19703 173.3
[M+HCOO]- 380.19797 200.3
[M+CH3COO]- 394.21362 193.1
[M+Na-2H]- 356.17444 186.8
[M]+ 335.19922 185.8
[M]- 335.20032 185.8
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.