CID 149522

74861-78-2

Structural Information

Molecular Formula
C26H34N4O
SMILES
CCN(CC)CCCC(C)NC1=NC=CC2=C(C3=C(C=C21)C4=C(N3)C=CC(=C4)OC)C
InChI
InChI=1S/C26H34N4O/c1-6-30(7-2)14-8-9-17(3)28-26-23-16-22-21-15-19(31-5)10-11-24(21)29-25(22)18(4)20(23)12-13-27-26/h10-13,15-17,29H,6-9,14H2,1-5H3,(H,27,28)
InChIKey
VCYCAXIMHIJMET-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

418.27325 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.28053 207.7
[M+Na]+ 441.26247 215.1
[M-H]- 417.26597 211.5
[M+NH4]+ 436.30707 220.0
[M+K]+ 457.23641 208.5
[M+H-H2O]+ 401.27051 197.6
[M+HCOO]- 463.27145 226.5
[M+CH3COO]- 477.28710 216.1
[M+Na-2H]- 439.24792 210.3
[M]+ 418.27270 214.8
[M]- 418.27380 214.8
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