CID 5469982

Nsc695165

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CN1C2=CC=CC=C2N=C1C(=O)/C=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16N2O2/c1-20-16-6-4-3-5-15(16)19-18(20)17(21)12-9-13-7-10-14(22-2)11-8-13/h3-12H,1-2H3/b12-9+
InChIKey
SRDRHZVJHLGGJA-FMIVXFBMSA-N
Compound name
(E)-3-(4-methoxyphenyl)-1-(1-methylbenzimidazol-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 168.4
[M+Na]+ 315.11042 178.5
[M-H]- 291.11392 174.1
[M+NH4]+ 310.15502 184.1
[M+K]+ 331.08436 173.0
[M+H-H2O]+ 275.11846 159.4
[M+HCOO]- 337.11940 190.5
[M+CH3COO]- 351.13505 202.6
[M+Na-2H]- 313.09587 172.1
[M]+ 292.12065 172.6
[M]- 292.12175 172.6
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.