CID 29279

18833-62-0

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CN(C)CCCOC1=C2CCCCCC2=NC3=C1C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H25N3O3/c1-21(2)11-6-12-25-19-15-7-4-3-5-8-17(15)20-18-13-14(22(23)24)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
PTFLXZSEEVIXLH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(3-nitro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1896 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 181.1
[M+Na]+ 366.17882 184.0
[M-H]- 342.18232 186.6
[M+NH4]+ 361.22342 193.8
[M+K]+ 382.15276 182.0
[M+H-H2O]+ 326.18686 177.3
[M+HCOO]- 388.18780 199.8
[M+CH3COO]- 402.20345 214.8
[M+Na-2H]- 364.16427 186.8
[M]+ 343.18905 178.4
[M]- 343.19015 178.4
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.