CID 3080049

1,2-ethanediamine, n,n-diethyl-n'-11h-pyrido(3,2-a)carbazol-3-yl-, dihydrochloride

Structural Information

Molecular Formula
C21H24N4
SMILES
CCN(CC)CCNC1=NC2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4N3
InChI
InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-20-12-10-17-19(23-20)11-9-16-15-7-5-6-8-18(15)24-21(16)17/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKey
HEEBNXLYCYCKSY-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(11H-pyrido[3,2-a]carbazol-3-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2001 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20738 178.6
[M+Na]+ 355.18932 187.3
[M-H]- 331.19282 182.6
[M+NH4]+ 350.23392 194.3
[M+K]+ 371.16326 180.3
[M+H-H2O]+ 315.19736 169.1
[M+HCOO]- 377.19830 200.4
[M+CH3COO]- 391.21395 189.1
[M+Na-2H]- 353.17477 186.6
[M]+ 332.19955 182.7
[M]- 332.20065 182.7
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.