CID 372043

Nsc646859

Structural Information

Molecular Formula
C15H18N4O3
SMILES
C1COCCN1CCNC2=C3C(=NC=C2)C=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C15H18N4O3/c20-19(21)14-3-1-2-12-15(14)13(4-5-16-12)17-6-7-18-8-10-22-11-9-18/h1-5H,6-11H2,(H,16,17)
InChIKey
VKHMFWMEBRXYIW-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-5-nitroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.13788 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14516 166.5
[M+Na]+ 325.12710 169.8
[M-H]- 301.13060 170.8
[M+NH4]+ 320.17170 176.4
[M+K]+ 341.10104 163.0
[M+H-H2O]+ 285.13514 160.5
[M+HCOO]- 347.13608 184.5
[M+CH3COO]- 361.15173 200.1
[M+Na-2H]- 323.11255 175.7
[M]+ 302.13733 162.0
[M]- 302.13843 162.0
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.