CID 497737

12-ethyl-9-methoxy-7h-[2,7]naphthyridin[1,8a,8-ab]carbazol-7-one

Structural Information

Molecular Formula
C20H15N3O2
SMILES
CCN1C2=C(C=C(C=C2)OC)C3=C1C4=NC=CC5=C4C(=NC=C5)C3=O
InChI
InChI=1S/C20H15N3O2/c1-3-23-14-5-4-12(25-2)10-13(14)16-19(23)17-15-11(6-8-21-17)7-9-22-18(15)20(16)24/h4-10H,3H2,1-2H3
InChIKey
PYXWCTXNBDXRHU-UHFFFAOYSA-N
Compound name
3-ethyl-7-methoxy-3,13,19-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2(10),4(9),5,7,12,14,16(20),17-nonaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11642 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 179.4
[M+Na]+ 352.10564 192.1
[M-H]- 328.10914 183.1
[M+NH4]+ 347.15024 195.7
[M+K]+ 368.07958 185.0
[M+H-H2O]+ 312.11368 169.3
[M+HCOO]- 374.11462 196.0
[M+CH3COO]- 388.13027 190.6
[M+Na-2H]- 350.09109 185.9
[M]+ 329.11587 186.0
[M]- 329.11697 186.0
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.