CID 370718

Nsc644219

Structural Information

Molecular Formula
C17H17N3O5
SMILES
CN(C)CCNC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])OC3=CC=CC=C3O2
InChI
InChI=1S/C17H17N3O5/c1-19(2)8-7-18-17(21)12-9-11(20(22)23)10-15-16(12)25-14-6-4-3-5-13(14)24-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKey
DHKUZINVEZYFKU-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-3-nitrodibenzo-p-dioxin-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.11682 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12410 177.1
[M+Na]+ 366.10604 181.5
[M-H]- 342.10954 184.5
[M+NH4]+ 361.15064 188.4
[M+K]+ 382.07998 178.0
[M+H-H2O]+ 326.11408 172.7
[M+HCOO]- 388.11502 198.1
[M+CH3COO]- 402.13067 215.3
[M+Na-2H]- 364.09149 186.3
[M]+ 343.11627 179.5
[M]- 343.11737 179.5
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.