CID 72201751

Methoxynigellidine

Structural Information

Molecular Formula
C19H21N2O2
SMILES
CC1=CC2=C(C(=C1)OC)C(=[N+]3N2CCCC3)C4=CC=C(C=C4)O
InChI
InChI=1S/C19H20N2O2/c1-13-11-16-18(17(12-13)23-2)19(14-5-7-15(22)8-6-14)21-10-4-3-9-20(16)21/h5-8,11-12H,3-4,9-10H2,1-2H3/p+1
InChIKey
ZQOVLWFKLLPHDB-UHFFFAOYSA-O
Compound name
4-(1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-11-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.1603 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16758 176.2
[M+Na]+ 332.14952 185.6
[M-H]- 308.15302 181.7
[M+NH4]+ 327.19412 191.5
[M+K]+ 348.12346 174.1
[M+H-H2O]+ 292.15756 169.9
[M+HCOO]- 354.15850 193.4
[M+CH3COO]- 368.17415 198.8
[M+Na-2H]- 330.13497 181.8
[M]+ 309.15975 176.5
[M]- 309.16085 176.5
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.