CID 3008888

Chembl1184030

Structural Information

Molecular Formula
C14H14ClN3O
SMILES
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)N=C(N)N
InChI
InChI=1S/C14H14ClN3O/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
NTVXTTQGPGRZJK-UHFFFAOYSA-N
Compound name
2-[3-[(4-chlorophenyl)methoxy]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.08255 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08983 162.4
[M+Na]+ 298.07177 169.6
[M-H]- 274.07527 169.4
[M+NH4]+ 293.11637 178.6
[M+K]+ 314.04571 164.4
[M+H-H2O]+ 258.07981 154.9
[M+HCOO]- 320.08075 185.0
[M+CH3COO]- 334.09640 205.7
[M+Na-2H]- 296.05722 166.7
[M]+ 275.08200 162.4
[M]- 275.08310 162.4
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.