CID 9566477

Hydrobenzamide

Structural Information

Molecular Formula
C21H18N2
SMILES
C1=CC=C(C=C1)/C=N/C(/N=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18N2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-17,21H/b22-16+,23-17+
InChIKey
VUYRFIIFTJICNA-LKNRODPVSA-N
Compound name
(E)-N-[[(E)-benzylideneamino]-phenylmethyl]-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

298.147 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15428 171.5
[M+Na]+ 321.13622 175.9
[M-H]- 297.13972 182.6
[M+NH4]+ 316.18082 186.1
[M+K]+ 337.11016 170.5
[M+H-H2O]+ 281.14426 161.0
[M+HCOO]- 343.14520 199.1
[M+CH3COO]- 357.16085 182.7
[M+Na-2H]- 319.12167 178.7
[M]+ 298.14645 170.3
[M]- 298.14755 170.3
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

patents stripe