CID 135496970

Makaluvamine n

Structural Information

Molecular Formula
C10H8BrN3O
SMILES
C1CN=C2C3=C1C=NC3=C(C(=C2Br)N)O
InChI
InChI=1S/C10H8BrN3O/c11-6-7(12)10(15)9-5-4(3-14-9)1-2-13-8(5)6/h3,15H,1-2,12H2
InChIKey
UMVGTIHJQQYCQI-UHFFFAOYSA-N
Compound name
10-amino-9-bromo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.98508 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.992356 149.4
[M+Na]+ 287.974298 163.8
[M-H]- 263.977804 153.8
[M+NH4]+ 283.018903 170.6
[M+K]+ 303.948238 151.4
[M+H-H2O]+ 247.982340 148.9
[M+HCOO]- 309.983281 168.3
[M+CH3COO]- 323.998931 164.1
[M+Na-2H]- 285.959746 157.7
[M]+ 264.98453142 168.9
[M]- 264.98562858 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.