CID 3068868

Brn 5626502

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCNCCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3)C=CC(=C4)OC)C
InChI
InChI=1S/C22H26N4O/c1-4-23-9-5-10-24-22-19-13-18-17-12-15(27-3)6-7-20(17)26-21(18)14(2)16(19)8-11-25-22/h6-8,11-13,23,26H,4-5,9-10H2,1-3H3,(H,24,25)
InChIKey
AKOGJMHJWZXZDH-UHFFFAOYSA-N
Compound name
N-ethyl-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

1
References

8
Patents

362.21066 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 187.2
[M+Na]+ 385.19988 197.0
[M-H]- 361.20338 190.5
[M+NH4]+ 380.24448 201.6
[M+K]+ 401.17382 189.2
[M+H-H2O]+ 345.20792 178.0
[M+HCOO]- 407.20886 208.2
[M+CH3COO]- 421.22451 197.3
[M+Na-2H]- 383.18533 194.1
[M]+ 362.21011 192.7
[M]- 362.21121 192.7
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