CID 504257

Guanidine, [2-(6-methoxy-8-quinolylamino)-ethyl]-, dinitrate

Structural Information

Molecular Formula
C13H17N5O
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCN=C(N)N
InChI
InChI=1S/C13H17N5O/c1-19-10-7-9-3-2-4-17-12(9)11(8-10)16-5-6-18-13(14)15/h2-4,7-8,16H,5-6H2,1H3,(H4,14,15,18)
InChIKey
OHSPCWPLCKXBKQ-UHFFFAOYSA-N
Compound name
2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1433 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15058 156.5
[M+Na]+ 282.13252 162.6
[M-H]- 258.13602 160.1
[M+NH4]+ 277.17712 172.1
[M+K]+ 298.10646 159.5
[M+H-H2O]+ 242.14056 147.9
[M+HCOO]- 304.14150 182.1
[M+CH3COO]- 318.15715 208.8
[M+Na-2H]- 280.11797 163.7
[M]+ 259.14275 155.1
[M]- 259.14385 155.1
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.