CID 5742907

N-benzyloxy-3-(1,2,4-triazol-1-yl)chroman-4-imine

Structural Information

Molecular Formula
C18H16N4O2
SMILES
C1C(/C(=N/OCC2=CC=CC=C2)/C3=CC=CC=C3O1)N4C=NC=N4
InChI
InChI=1S/C18H16N4O2/c1-2-6-14(7-3-1)10-24-21-18-15-8-4-5-9-17(15)23-11-16(18)22-13-19-12-20-22/h1-9,12-13,16H,10-11H2/b21-18+
InChIKey
UMWMTXUHGWTNBT-DYTRJAOYSA-N
Compound name
(E)-N-phenylmethoxy-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

320.12732 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 172.8
[M+Na]+ 343.11654 179.9
[M-H]- 319.12004 180.8
[M+NH4]+ 338.16114 183.8
[M+K]+ 359.09048 175.8
[M+H-H2O]+ 303.12458 161.0
[M+HCOO]- 365.12552 192.8
[M+CH3COO]- 379.14117 183.3
[M+Na-2H]- 341.10199 179.0
[M]+ 320.12677 173.1
[M]- 320.12787 173.1
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.