CID 3008887

Chembl1179613

Structural Information

Molecular Formula
C14H14BrN3O
SMILES
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)N=C(N)N
InChI
InChI=1S/C14H14BrN3O/c15-11-6-4-10(5-7-11)9-19-13-3-1-2-12(8-13)18-14(16)17/h1-8H,9H2,(H4,16,17,18)
InChIKey
YGVGQJYHTRJZMV-UHFFFAOYSA-N
Compound name
2-[3-[(4-bromophenyl)methoxy]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.032 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03928 164.6
[M+Na]+ 342.02122 173.2
[M-H]- 318.02472 173.6
[M+NH4]+ 337.06582 181.4
[M+K]+ 357.99516 160.8
[M+H-H2O]+ 302.02926 161.1
[M+HCOO]- 364.03020 188.5
[M+CH3COO]- 378.04585 210.5
[M+Na-2H]- 340.00667 170.0
[M]+ 319.03145 180.5
[M]- 319.03255 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.