CID 467086

Makaluvamine p

Structural Information

Molecular Formula
C20H22N3O2
SMILES
CN1C=C2CC[N+](=C3C2=C1C(=O)C(=C3)NCCC4=CC=C(C=C4)O)C
InChI
InChI=1S/C20H21N3O2/c1-22-10-8-14-12-23(2)19-18(14)17(22)11-16(20(19)25)21-9-7-13-3-5-15(24)6-4-13/h3-6,11-12,24H,7-10H2,1-2H3/p+1
InChIKey
OLEMIURMTKKFSE-UHFFFAOYSA-O
Compound name
10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

336.1712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17848 183.2
[M+Na]+ 359.16042 191.3
[M-H]- 335.16392 187.7
[M+NH4]+ 354.20502 197.4
[M+K]+ 375.13436 179.4
[M+H-H2O]+ 319.16846 176.8
[M+HCOO]- 381.16940 199.8
[M+CH3COO]- 395.18505 208.4
[M+Na-2H]- 357.14587 188.1
[M]+ 336.17065 183.4
[M]- 336.17175 183.4
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.