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

32
Patents

253.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 153.7
[M+Na]+ 276.13589 161.9
[M-H]- 252.13939 163.9
[M+NH4]+ 271.18049 165.8
[M+K]+ 292.10983 157.5
[M+H-H2O]+ 236.14393 145.7
[M+HCOO]- 298.14487 179.1
[M+CH3COO]- 312.16052 201.2
[M+Na-2H]- 274.12134 160.0
[M]+ 253.14612 156.4
[M]- 253.14722 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