CID 73051852

Amidine compound 2

Structural Information

Molecular Formula
C21H18ClN3O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)Cl
InChI
InChI=1S/C21H18ClN3O/c22-19-17(15-5-2-1-3-6-15)7-4-8-18(19)21(26)25-13-14-9-11-16(12-10-14)20(23)24/h1-12H,13H2,(H3,23,24)(H,25,26)
InChIKey
HZBJZCWAIZICKW-UHFFFAOYSA-N
Compound name
N-[(4-carbamimidoylphenyl)methyl]-2-chloro-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

363.11383 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12111 188.9
[M+Na]+ 386.10305 203.1
[M+NH4]+ 381.14765 196.8
[M+K]+ 402.07699 194.1
[M-H]- 362.10655 197.0
[M+Na-2H]- 384.08850 199.2
[M]+ 363.11328 193.5
[M]- 363.11438 193.5
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

patents stripe