CID 4002

Makaluvamine a

Structural Information

Molecular Formula
C11H11N3O
SMILES
CN1C=C2CCN=C3C2=C1C(=O)C(=C3)N
InChI
InChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3,12H2,1H3
InChIKey
RUIRYCQUTHWLMZ-UHFFFAOYSA-N
Compound name
10-amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

38
Patents

201.09021 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.1
[M+Na]+ 224.07943 153.5
[M-H]- 200.08293 145.4
[M+NH4]+ 219.12403 163.9
[M+K]+ 240.05337 149.4
[M+H-H2O]+ 184.08747 136.2
[M+HCOO]- 246.08841 162.8
[M+CH3COO]- 260.10406 156.1
[M+Na-2H]- 222.06488 148.8
[M]+ 201.08966 142.8
[M]- 201.09076 142.8
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

patents stripe