CID 149478

Brn 0714636

Structural Information

Molecular Formula
C24H30N4O
SMILES
CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3)C=CC(=C4)OC)C
InChI
InChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-21-15-20-19-14-17(29-4)8-9-22(19)27-23(20)16(3)18(21)10-12-26-24/h8-10,12,14-15,27H,5-7,11,13H2,1-4H3,(H,25,26)
InChIKey
PQKRMMHNSGWERE-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

390.24197 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.249246 198.0
[M+Na]+ 413.231188 206.7
[M-H]- 389.234694 202.1
[M+NH4]+ 408.275793 211.6
[M+K]+ 429.205128 199.9
[M+H-H2O]+ 373.239230 188.1
[M+HCOO]- 435.240171 218.6
[M+CH3COO]- 449.255821 207.5
[M+Na-2H]- 411.216636 202.8
[M]+ 390.24142142 205.1
[M]- 390.24251858 205.1
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