CID 5742909

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

Structural Information

Molecular Formula
C18H14Cl2N4O2
SMILES
C1C(/C(=N/OCC2=C(C=C(C=C2)Cl)Cl)/C3=CC=CC=C3O1)N4C=NC=N4
InChI
InChI=1S/C18H14Cl2N4O2/c19-13-6-5-12(15(20)7-13)8-26-23-18-14-3-1-2-4-17(14)25-9-16(18)24-11-21-10-22-24/h1-7,10-11,16H,8-9H2/b23-18+
InChIKey
GRDSUTRIEKZNGY-PTGBLXJZSA-N
Compound name
(E)-N-[(2,4-dichlorophenyl)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

388.04938 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05666 189.4
[M+Na]+ 411.03860 199.0
[M-H]- 387.04210 196.7
[M+NH4]+ 406.08320 199.4
[M+K]+ 427.01254 193.0
[M+H-H2O]+ 371.04664 177.8
[M+HCOO]- 433.04758 199.1
[M+CH3COO]- 447.06323 198.9
[M+Na-2H]- 409.02405 192.2
[M]+ 388.04883 193.8
[M]- 388.04993 193.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.