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]+ 344.196876 181.1
[M+Na]+ 366.178818 184.0
[M-H]- 342.182324 186.6
[M+NH4]+ 361.223423 193.8
[M+K]+ 382.152758 182.0
[M+H-H2O]+ 326.186860 177.3
[M+HCOO]- 388.187801 199.8
[M+CH3COO]- 402.203451 214.8
[M+Na-2H]- 364.164266 186.8
[M]+ 343.18905142 178.4
[M]- 343.19014858 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.