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

5
Patents

240.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 153.1
[M+Na]+ 263.115488 162.5
[M-H]- 239.118994 156.1
[M+NH4]+ 258.160093 173.3
[M+K]+ 279.089428 157.6
[M+H-H2O]+ 223.123530 144.8
[M+HCOO]- 285.124471 170.5
[M+CH3COO]- 299.140121 165.2
[M+Na-2H]- 261.100936 160.3
[M]+ 240.12572142 154.6
[M]- 240.12681858 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