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

literature stripe

Patent stripe

patents stripe