CID 3041091

1,3,4,5-tetrahydro-3-(p-methoxyphenyl)pyrrolo(4,3,2-de)isoquinoline maleate

Structural Information

Molecular Formula
C17H16N2O
SMILES
COC1=CC=C(C=C1)C2C3=CNC4=CC=CC(=C43)CN2
InChI
InChI=1S/C17H16N2O/c1-20-13-7-5-11(6-8-13)17-14-10-18-15-4-2-3-12(9-19-17)16(14)15/h2-8,10,17-19H,9H2,1H3
InChIKey
ZZSAIHVVWPRNPN-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12625 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 160.0
[M+Na]+ 287.11547 168.8
[M-H]- 263.11897 162.9
[M+NH4]+ 282.16007 176.7
[M+K]+ 303.08941 161.7
[M+H-H2O]+ 247.12351 151.7
[M+HCOO]- 309.12445 176.9
[M+CH3COO]- 323.14010 171.0
[M+Na-2H]- 285.10092 166.0
[M]+ 264.12570 158.9
[M]- 264.12680 158.9
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.