CID 464133

Makulavamine j

Structural Information

Molecular Formula
C19H20N3O2
SMILES
C[N+]1=C2C=C(C(=C3C2=C(CC1)C=N3)O)NCCC4=CC=C(C=C4)O
InChI
InChI=1S/C19H19N3O2/c1-22-9-7-13-11-21-18-17(13)16(22)10-15(19(18)24)20-8-6-12-2-4-14(23)5-3-12/h2-5,10-11H,6-9H2,1H3,(H2,20,21,23,24)/p+1
InChIKey
HSEARKUCRKWKOC-UHFFFAOYSA-O
Compound name
10-[2-(4-hydroxyphenyl)ethylamino]-7-methyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

322.15555 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16283 177.1
[M+Na]+ 345.14477 186.1
[M-H]- 321.14827 181.0
[M+NH4]+ 340.18937 191.2
[M+K]+ 361.11871 173.8
[M+H-H2O]+ 305.15281 171.0
[M+HCOO]- 367.15375 195.4
[M+CH3COO]- 381.16940 202.2
[M+Na-2H]- 343.13022 184.9
[M]+ 322.15500 178.5
[M]- 322.15610 178.5
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