CID 2882839

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

Structural Information

Molecular Formula
C17H21BrN2
SMILES
CCCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4
InChI
InChI=1S/C17H21BrN2/c1-2-8-19-9-10-20-15-7-6-12(18)11-14(15)13-4-3-5-16(19)17(13)20/h6-7,11,16H,2-5,8-10H2,1H3
InChIKey
IRNXDKZUAGPSIT-UHFFFAOYSA-N
Compound name
12-bromo-4-propyl-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

6
References

1
Patents

332.0888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09608 175.9
[M+Na]+ 355.07802 186.9
[M-H]- 331.08152 180.9
[M+NH4]+ 350.12262 196.2
[M+K]+ 371.05196 174.2
[M+H-H2O]+ 315.08606 174.4
[M+HCOO]- 377.08700 188.9
[M+CH3COO]- 391.10265 187.9
[M+Na-2H]- 353.06347 180.5
[M]+ 332.08825 193.9
[M]- 332.08935 193.9
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