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

3
Patents

255.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 158.6
[M+Na]+ 278.12638 164.1
[M-H]- 254.12988 164.4
[M+NH4]+ 273.17098 173.9
[M+K]+ 294.10032 159.7
[M+H-H2O]+ 238.13442 150.4
[M+HCOO]- 300.13536 183.9
[M+CH3COO]- 314.15101 203.3
[M+Na-2H]- 276.11183 162.6
[M]+ 255.13661 154.9
[M]- 255.13771 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