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]+ 333.207376 178.6
[M+Na]+ 355.189318 187.3
[M-H]- 331.192824 182.6
[M+NH4]+ 350.233923 194.3
[M+K]+ 371.163258 180.3
[M+H-H2O]+ 315.197360 169.1
[M+HCOO]- 377.198301 200.4
[M+CH3COO]- 391.213951 189.1
[M+Na-2H]- 353.174766 186.6
[M]+ 332.19955142 182.7
[M]- 332.20064858 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.