CID 57677388

864245-86-3

Structural Information

Molecular Formula
C16H15FN4O5
SMILES
C1COCCN1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])F
InChI
InChI=1S/C16H15FN4O5/c17-13-9-11(21(23)24)1-2-14(13)26-12-3-4-18-15(10-12)19-16(22)20-5-7-25-8-6-20/h1-4,9-10H,5-8H2,(H,18,19,22)
InChIKey
PXCLOBPSDSYDFW-UHFFFAOYSA-N
Compound name
N-[4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

362.10266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10994 179.2
[M+Na]+ 385.09188 182.6
[M-H]- 361.09538 185.0
[M+NH4]+ 380.13648 185.2
[M+K]+ 401.06582 176.2
[M+H-H2O]+ 345.09992 171.3
[M+HCOO]- 407.10086 196.8
[M+CH3COO]- 421.11651 208.3
[M+Na-2H]- 383.07733 185.2
[M]+ 362.10211 174.3
[M]- 362.10321 174.3
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

patents stripe