CID 464127

Makaluvamine k

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CN1C=C2CCN=C3C2=C1C(=O)C(=C3)NCCC4=CC=C(C=C4)O
InChI
InChI=1S/C19H19N3O2/c1-22-11-13-7-9-20-15-10-16(19(24)18(22)17(13)15)21-8-6-12-2-4-14(23)5-3-12/h2-5,10-11,21,23H,6-9H2,1H3
InChIKey
MFJASCFAUMWBMV-UHFFFAOYSA-N
Compound name
10-[2-(4-hydroxyphenyl)ethylamino]-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

3
References

3
Patents

321.14774 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.0
[M+Na]+ 344.13696 184.1
[M-H]- 320.14046 180.1
[M+NH4]+ 339.18156 190.8
[M+K]+ 360.11090 177.8
[M+H-H2O]+ 304.14500 166.9
[M+HCOO]- 366.14594 193.4
[M+CH3COO]- 380.16159 186.1
[M+Na-2H]- 342.12241 179.6
[M]+ 321.14719 176.7
[M]- 321.14829 176.7
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

No patent data available for this compound.