CID 3080056

Brn 4268136

Structural Information

Molecular Formula

C₂₁H₂₂ClN₃

SMILES

CCN(CC)CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)N=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3/c1-3-24(4-2)13-14-25-19-8-6-5-7-15(19)16-9-11-18-17(21(16)25)10-12-20(22)23-18/h5-12H,3-4,13-14H2,1-2H3

InChIKey

SPGOLUABNIFZRV-UHFFFAOYSA-N

Compound name

2-(3-chloropyrido[3,2-a]carbazol-11-yl)-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.15024 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.157516	185.8
[M+Na]+	374.139458	197.5
[M-H]-	350.142964	191.1
[M+NH4]+	369.184063	202.8
[M+K]+	390.113398	189.6
[M+H-H2O]+	334.147500	176.4
[M+HCOO]-	396.148441	203.2
[M+CH3COO]-	410.164091	197.2
[M+Na-2H]-	372.124906	191.6
[M]+	351.14969142	194.7
[M]-	351.15078858	194.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.