CID 488172

1-(8-methyl-3a,4,5,6-tetrahydro-1h-pyrazino[3,2,1-jk]carbazol-3(2h)-yl)-3-phenylpropan-2-ol

Structural Information

Molecular Formula
C24H28N2O
SMILES
CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(CC5=CC=CC=C5)O
InChI
InChI=1S/C24H28N2O/c1-17-10-11-22-21(14-17)20-8-5-9-23-24(20)26(22)13-12-25(23)16-19(27)15-18-6-3-2-4-7-18/h2-4,6-7,10-11,14,19,23,27H,5,8-9,12-13,15-16H2,1H3
InChIKey
QKXYCJQGQLIAOP-UHFFFAOYSA-N
Compound name
1-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.227426 189.4
[M+Na]+ 383.209368 194.7
[M-H]- 359.212874 192.9
[M+NH4]+ 378.253973 203.2
[M+K]+ 399.183308 187.2
[M+H-H2O]+ 343.217410 179.0
[M+HCOO]- 405.218351 200.6
[M+CH3COO]- 419.234001 197.2
[M+Na-2H]- 381.194816 190.4
[M]+ 360.21960142 187.4
[M]- 360.22069858 187.4
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.