CID 3068871

1,2-ethanediamine, n,n-diethyl-n'-(5,6-dimethyl-9-methoxy-6h-pyrido(4,3-b)carbazol-1-yl)-, hemihydrate

Structural Information

Molecular Formula
C24H30N4O
SMILES
CCN(CC)CCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3C)C=CC(=C4)OC)C
InChI
InChI=1S/C24H30N4O/c1-6-28(7-2)13-12-26-24-21-15-20-19-14-17(29-5)8-9-22(19)27(4)23(20)16(3)18(21)10-11-25-24/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,26)
InChIKey
FIRFTJHDICWOJW-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

390.24197 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.24925 199.9
[M+Na]+ 413.23119 210.0
[M-H]- 389.23469 205.8
[M+NH4]+ 408.27579 214.5
[M+K]+ 429.20513 203.9
[M+H-H2O]+ 373.23923 189.8
[M+HCOO]- 435.24017 221.9
[M+CH3COO]- 449.25582 210.3
[M+Na-2H]- 411.21664 204.1
[M]+ 390.24142 209.1
[M]- 390.24252 209.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe