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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15752 185.8
[M+Na]+ 374.13946 197.5
[M-H]- 350.14296 191.1
[M+NH4]+ 369.18406 202.8
[M+K]+ 390.11340 189.6
[M+H-H2O]+ 334.14750 176.4
[M+HCOO]- 396.14844 203.2
[M+CH3COO]- 410.16409 197.2
[M+Na-2H]- 372.12491 191.6
[M]+ 351.14969 194.7
[M]- 351.15079 194.7
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.