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 187.3
[M+Na]+ 386.10305 193.1
[M-H]- 362.10655 196.2
[M+NH4]+ 381.14765 198.9
[M+K]+ 402.07699 185.6
[M+H-H2O]+ 346.11109 178.4
[M+HCOO]- 408.11203 207.0
[M+CH3COO]- 422.12768 222.2
[M+Na-2H]- 384.08850 189.3
[M]+ 363.11328 185.7
[M]- 363.11438 185.7
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