CID 4060327

47208-82-2

Structural Information

Molecular Formula
C15H19N3O4
SMILES
COC1=CC=CC2=C(C=CN=C21)NCCCCCO[N+](=O)[O-]
InChI
InChI=1S/C15H19N3O4/c1-21-14-7-5-6-12-13(8-10-17-15(12)14)16-9-3-2-4-11-22-18(19)20/h5-8,10H,2-4,9,11H2,1H3,(H,16,17)
InChIKey
YBOILUNNGBGURC-UHFFFAOYSA-N
Compound name
5-[(8-methoxyquinolin-4-yl)amino]pentyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

305.13754 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 168.0
[M+Na]+ 328.12676 173.0
[M-H]- 304.13026 170.6
[M+NH4]+ 323.17136 181.2
[M+K]+ 344.10070 166.2
[M+H-H2O]+ 288.13480 163.7
[M+HCOO]- 350.13574 191.4
[M+CH3COO]- 364.15139 202.2
[M+Na-2H]- 326.11221 176.8
[M]+ 305.13699 170.7
[M]- 305.13809 170.7
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