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]+ 265.99236 149.4
[M+Na]+ 287.97430 163.8
[M-H]- 263.97780 153.8
[M+NH4]+ 283.01890 170.6
[M+K]+ 303.94824 151.4
[M+H-H2O]+ 247.98234 148.9
[M+HCOO]- 309.98328 168.3
[M+CH3COO]- 323.99893 164.1
[M+Na-2H]- 285.95975 157.7
[M]+ 264.98453 168.9
[M]- 264.98563 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.