CID 214808

2,3,3a,4,5,6-hexahydro-3,8-dimethyl-1h-pyrazino(3,2,1-jk)carbazole hydrochloride

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C
InChI
InChI=1S/C16H20N2/c1-11-6-7-14-13(10-11)12-4-3-5-15-16(12)18(14)9-8-17(15)2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKey
XXEYXLGPFYMZNX-UHFFFAOYSA-N
Compound name
4,12-dimethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

240.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 156.7
[M+Na]+ 263.151858 165.6
[M-H]- 239.155364 159.4
[M+NH4]+ 258.196463 177.2
[M+K]+ 279.125798 160.0
[M+H-H2O]+ 223.159900 148.5
[M+HCOO]- 285.160841 172.0
[M+CH3COO]- 299.176491 168.2
[M+Na-2H]- 261.137306 161.3
[M]+ 240.16209142 155.9
[M]- 240.16318858 155.9
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

patents stripe