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

literature stripe

Patent stripe

patents stripe