CID 488168

(8-methyl-1,2,3a,4,5,6-hexahydro-3h-pyrazino[3,2,1-jk]carbazol-3-yl)(phenyl)methanone

Structural Information

Molecular Formula
C22H22N2O
SMILES
CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C22H22N2O/c1-15-10-11-19-18(14-15)17-8-5-9-20-21(17)23(19)12-13-24(20)22(25)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,20H,5,8-9,12-13H2,1H3
InChIKey
GZXAOPQXHYOCQM-UHFFFAOYSA-N
Compound name
(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17322 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 180.0
[M+Na]+ 353.16244 187.1
[M-H]- 329.16594 185.3
[M+NH4]+ 348.20704 195.7
[M+K]+ 369.13638 180.1
[M+H-H2O]+ 313.17048 169.7
[M+HCOO]- 375.17142 193.7
[M+CH3COO]- 389.18707 189.4
[M+Na-2H]- 351.14789 182.4
[M]+ 330.17267 178.4
[M]- 330.17377 178.4
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.