CID 162345420

Ns00132972

Structural Information

Molecular Formula
C15H16BrN3
SMILES
CC1=C(C(=CC=C1)Br)N=C(N)NC2=CC=CC=C2C
InChI
InChI=1S/C15H16BrN3/c1-10-6-3-4-9-13(10)18-15(17)19-14-11(2)7-5-8-12(14)16/h3-9H,1-2H3,(H3,17,18,19)
InChIKey
PTXDDBRVPLBLQS-UHFFFAOYSA-N
Compound name
2-(2-bromo-6-methylphenyl)-1-(2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.05276 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.060036 166.5
[M+Na]+ 340.041978 175.8
[M-H]- 316.045484 176.2
[M+NH4]+ 335.086583 184.1
[M+K]+ 356.015918 163.0
[M+H-H2O]+ 300.050020 163.3
[M+HCOO]- 362.050961 190.4
[M+CH3COO]- 376.066611 212.4
[M+Na-2H]- 338.027426 171.6
[M]+ 317.05221142 182.7
[M]- 317.05330858 182.7
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

No patent data available for this compound.