CID 3063822

4-(4-aminomethylbenzyloxy)benzamidine diacetate

Structural Information

Molecular Formula
C15H17N3O
SMILES
C1=CC(=CC=C1CN)COC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C15H17N3O/c16-9-11-1-3-12(4-2-11)10-19-14-7-5-13(6-8-14)15(17)18/h1-8H,9-10,16H2,(H3,17,18)
InChIKey
ZYWNIZARQZCANQ-UHFFFAOYSA-N
Compound name
4-[[4-(aminomethyl)phenyl]methoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 158.6
[M+Na]+ 278.126378 164.1
[M-H]- 254.129884 164.4
[M+NH4]+ 273.170983 173.9
[M+K]+ 294.100318 159.7
[M+H-H2O]+ 238.134420 150.4
[M+HCOO]- 300.135361 183.9
[M+CH3COO]- 314.151011 203.3
[M+Na-2H]- 276.111826 162.6
[M]+ 255.13661142 154.9
[M]- 255.13770858 154.9
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

patents stripe