CID 135959506

Brn 5636637

Structural Information

Molecular Formula
C25H32N4O
SMILES
CCN(CC)CCCNCC1=C2C=C3C4=C(C=CC(=C4)OC)N=C3C(=C2C=CN1)C
InChI
InChI=1S/C25H32N4O/c1-5-29(6-2)13-7-11-26-16-24-21-15-22-20-14-18(30-4)8-9-23(20)28-25(22)17(3)19(21)10-12-27-24/h8-10,12,14-15,26-27H,5-7,11,13,16H2,1-4H3
InChIKey
JGZILKIDQJAQJF-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[(9-methoxy-5-methyl-2H-pyrido[4,3-b]carbazol-1-yl)methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2576 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 202.5
[M+Na]+ 427.24682 210.8
[M-H]- 403.25032 206.4
[M+NH4]+ 422.29142 215.6
[M+K]+ 443.22076 203.7
[M+H-H2O]+ 387.25486 192.4
[M+HCOO]- 449.25580 222.7
[M+CH3COO]- 463.27145 211.5
[M+Na-2H]- 425.23227 206.7
[M]+ 404.25705 209.9
[M]- 404.25815 209.9
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.