CID 3055943

1h-pyrazino(3,2,1-jk)carbazole, 2,4,5,6-tetrahydro-8-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C15H16N2O
SMILES
COC1=CC2=C(C=C1)N3CCN=C4C3=C2CCC4
InChI
InChI=1S/C15H16N2O/c1-18-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9H,2-4,7-8H2,1H3
InChIKey
SOUCWNBLTRADPK-UHFFFAOYSA-N
Compound name
12-methoxy-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 153.1
[M+Na]+ 263.11549 162.5
[M-H]- 239.11899 156.1
[M+NH4]+ 258.16009 173.3
[M+K]+ 279.08943 157.6
[M+H-H2O]+ 223.12353 144.8
[M+HCOO]- 285.12447 170.5
[M+CH3COO]- 299.14012 165.2
[M+Na-2H]- 261.10094 160.3
[M]+ 240.12572 154.6
[M]- 240.12682 154.6
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

patents stripe