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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.089826	162.4
[M+Na]+	298.071768	169.6
[M-H]-	274.075274	169.4
[M+NH4]+	293.116373	178.6
[M+K]+	314.045708	164.4
[M+H-H2O]+	258.079810	154.9
[M+HCOO]-	320.080751	185.0
[M+CH3COO]-	334.096401	205.7
[M+Na-2H]-	296.057216	166.7
[M]+	275.08200142	162.4
[M]-	275.08309858	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.