CID 46453

1-naphthylamine, 1,2,3,4-tetrahydro-n,n-dimethyl-6,8-dinitro-5-methoxy-, hydrochloride

Structural Information

Molecular Formula
C13H17N3O5
SMILES
CN(C)C1CCCC2=C1C(=CC(=C2OC)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O5/c1-14(2)9-6-4-5-8-12(9)10(15(17)18)7-11(16(19)20)13(8)21-3/h7,9H,4-6H2,1-3H3
InChIKey
VPRJSDPIYVHNCN-UHFFFAOYSA-N
Compound name
5-methoxy-N,N-dimethyl-6,8-dinitro-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.11682 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12410 166.3
[M+Na]+ 318.10604 178.1
[M+NH4]+ 313.15064 180.5
[M+K]+ 334.07998 186.4
[M-H]- 294.10954 171.2
[M+Na-2H]- 316.09149 169.6
[M]+ 295.11627 173.7
[M]- 295.11737 173.7
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.