CID 5742908

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

Structural Information

Molecular Formula
C18H15ClN4O2
SMILES
C1C(/C(=N/OCC2=CC=C(C=C2)Cl)/C3=CC=CC=C3O1)N4C=NC=N4
InChI
InChI=1S/C18H15ClN4O2/c19-14-7-5-13(6-8-14)9-25-22-18-15-3-1-2-4-17(15)24-10-16(18)23-12-20-11-21-23/h1-8,11-12,16H,9-10H2/b22-18+
InChIKey
XDBMGYDOVJRWNB-RELWKKBWSA-N
Compound name
(E)-N-[(4-chlorophenyl)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

354.08835 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09563 181.7
[M+Na]+ 377.07757 190.3
[M-H]- 353.08107 189.7
[M+NH4]+ 372.12217 192.5
[M+K]+ 393.05151 185.0
[M+H-H2O]+ 337.08561 170.0
[M+HCOO]- 399.08655 196.9
[M+CH3COO]- 413.10220 191.9
[M+Na-2H]- 375.06302 186.4
[M]+ 354.08780 184.6
[M]- 354.08890 184.6
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.