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]+ 345.159746 183.4
[M+Na]+ 367.141688 187.3
[M-H]- 343.145194 193.5
[M+NH4]+ 362.186293 195.5
[M+K]+ 383.115628 182.8
[M+H-H2O]+ 327.149730 172.8
[M+HCOO]- 389.150671 208.5
[M+CH3COO]- 403.166321 217.7
[M+Na-2H]- 365.127136 187.8
[M]+ 344.15192142 183.1
[M]- 344.15301858 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.