CID 456618

2-methylprimaquine

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC1=NC2=C(C=C(C=C2C=C1)OC)NC(C)CCCN
InChI
InChI=1S/C16H23N3O/c1-11(5-4-8-17)18-15-10-14(20-3)9-13-7-6-12(2)19-16(13)15/h6-7,9-11,18H,4-5,8,17H2,1-3H3
InChIKey
RIVBUNKYECBISH-UHFFFAOYSA-N
Compound name
4-N-(6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.5
[M+Na]+ 296.17332 173.1
[M-H]- 272.17682 169.0
[M+NH4]+ 291.21792 182.2
[M+K]+ 312.14726 169.2
[M+H-H2O]+ 256.18136 158.4
[M+HCOO]- 318.18230 187.9
[M+CH3COO]- 332.19795 208.1
[M+Na-2H]- 294.15877 170.7
[M]+ 273.18355 167.7
[M]- 273.18465 167.7
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.