CID 3058948

Benzenecarboximidamide, n-(4-(1-oxopropoxy)phenyl)-n'-phenyl-

Structural Information

Molecular Formula
C22H20N2O2
SMILES
CCC(=O)OC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C22H20N2O2/c1-2-21(25)26-20-15-13-19(14-16-20)24-22(17-9-5-3-6-10-17)23-18-11-7-4-8-12-18/h3-16H,2H2,1H3,(H,23,24)
InChIKey
YGMBSKOZHJVJSG-UHFFFAOYSA-N
Compound name
[4-[[anilino(phenyl)methylidene]amino]phenyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.15247 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15975 183.4
[M+Na]+ 367.14169 187.3
[M-H]- 343.14519 193.5
[M+NH4]+ 362.18629 195.5
[M+K]+ 383.11563 182.8
[M+H-H2O]+ 327.14973 172.8
[M+HCOO]- 389.15067 208.5
[M+CH3COO]- 403.16632 217.7
[M+Na-2H]- 365.12714 187.8
[M]+ 344.15192 183.1
[M]- 344.15302 183.1
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.