CID 162345486

Ns00132968

Structural Information

Molecular Formula
C15H16ClN3
SMILES
CC1=C(C=C(C=C1)Cl)NC(=NC2=CC=CC=C2C)N
InChI
InChI=1S/C15H16ClN3/c1-10-5-3-4-6-13(10)18-15(17)19-14-9-12(16)8-7-11(14)2/h3-9H,1-2H3,(H3,17,18,19)
InChIKey
SDYVDCHPZRTPMS-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.10327 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.110546 164.7
[M+Na]+ 296.092488 172.6
[M-H]- 272.095994 172.5
[M+NH4]+ 291.137093 181.7
[M+K]+ 312.066428 166.9
[M+H-H2O]+ 256.100530 157.4
[M+HCOO]- 318.101471 187.3
[M+CH3COO]- 332.117121 207.6
[M+Na-2H]- 294.077936 168.6
[M]+ 273.10272142 164.9
[M]- 273.10381858 164.9
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.