CID 61686918

N-[(2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine

Structural Information

Molecular Formula
C17H19NO
SMILES
COC1=CC=CC=C1CNC2CC2C3=CC=CC=C3
InChI
InChI=1S/C17H19NO/c1-19-17-10-6-5-9-14(17)12-18-16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16,18H,11-12H2,1H3
InChIKey
JYSZLOJJRAJVHI-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

253.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 153.7
[M+Na]+ 276.135888 161.9
[M-H]- 252.139394 163.9
[M+NH4]+ 271.180493 165.8
[M+K]+ 292.109828 157.5
[M+H-H2O]+ 236.143930 145.7
[M+HCOO]- 298.144871 179.1
[M+CH3COO]- 312.160521 201.2
[M+Na-2H]- 274.121336 160.0
[M]+ 253.14612142 156.4
[M]- 253.14721858 156.4
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