CID 9574490

N-[(e)-chroman-4-ylideneamino]-2-(3-nitrophenoxy)propanamide

Structural Information

Molecular Formula
C18H17N3O5
SMILES
CC(C(=O)N/N=C/1\CCOC2=CC=CC=C12)OC3=CC=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H17N3O5/c1-12(26-14-6-4-5-13(11-14)21(23)24)18(22)20-19-16-9-10-25-17-8-3-2-7-15(16)17/h2-8,11-12H,9-10H2,1H3,(H,20,22)/b19-16+
InChIKey
XQJLNNXAVXLXMD-KNTRCKAVSA-N
Compound name
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.11682 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12410 178.6
[M+Na]+ 378.10604 180.7
[M-H]- 354.10954 186.8
[M+NH4]+ 373.15064 188.9
[M+K]+ 394.07998 175.8
[M+H-H2O]+ 338.11408 173.3
[M+HCOO]- 400.11502 200.7
[M+CH3COO]- 414.13067 213.7
[M+Na-2H]- 376.09149 185.7
[M]+ 355.11627 176.7
[M]- 355.11737 176.7
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.