CID 3049164

64511-87-1

Structural Information

Molecular Formula
C14H15N3O4
SMILES
C1=CC(=N)N(C=C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H15N3O4/c15-14-3-1-2-8-16(14)9-12(18)10-21-13-6-4-11(5-7-13)17(19)20/h1-8,12,15,18H,9-10H2
InChIKey
UNDWRUYFYTWXOW-UHFFFAOYSA-N
Compound name
1-(2-iminopyridin-1-yl)-3-(4-nitrophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10626 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 162.4
[M+Na]+ 312.09548 175.1
[M+NH4]+ 307.14008 168.5
[M+K]+ 328.06942 172.1
[M-H]- 288.09898 166.4
[M+Na-2H]- 310.08093 169.7
[M]+ 289.10571 165.0
[M]- 289.10681 165.0
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.