CID 5742914

N-[(3-fluorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)chroman-4-imine

Structural Information

Molecular Formula
C18H15FN4O2
SMILES
C1C(/C(=N/OCC2=CC(=CC=C2)F)/C3=CC=CC=C3O1)N4C=NC=N4
InChI
InChI=1S/C18H15FN4O2/c19-14-5-3-4-13(8-14)9-25-22-18-15-6-1-2-7-17(15)24-10-16(18)23-12-20-11-21-23/h1-8,11-12,16H,9-10H2/b22-18+
InChIKey
DWACBUSLXHRLHT-RELWKKBWSA-N
Compound name
(E)-N-[(3-fluorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1179 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12518 177.0
[M+Na]+ 361.10712 185.0
[M-H]- 337.11062 184.1
[M+NH4]+ 356.15172 187.5
[M+K]+ 377.08106 180.5
[M+H-H2O]+ 321.11516 164.4
[M+HCOO]- 383.11610 195.9
[M+CH3COO]- 397.13175 187.2
[M+Na-2H]- 359.09257 181.8
[M]+ 338.11735 176.8
[M]- 338.11845 176.8
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.