CID 370833

Nsc644498

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CN(C)CCOC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2
InChI
InChI=1S/C13H15N3O3/c1-15(2)8-9-19-12-6-5-11(16(17)18)10-4-3-7-14-13(10)12/h3-7H,8-9H2,1-2H3
InChIKey
PIVWLLDZVWHEBC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-nitroquinolin-8-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 156.2
[M+Na]+ 284.10055 162.6
[M-H]- 260.10405 160.7
[M+NH4]+ 279.14515 172.1
[M+K]+ 300.07449 157.1
[M+H-H2O]+ 244.10859 152.5
[M+HCOO]- 306.10953 180.8
[M+CH3COO]- 320.12518 197.5
[M+Na-2H]- 282.08600 165.2
[M]+ 261.11078 158.2
[M]- 261.11188 158.2
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.