CID 738564

14429-02-8

Structural Information

Molecular Formula
C15H17NO
SMILES
COC1=CC=C(C=C1)CNCC2=CC=CC=C2
InChI
InChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKey
WZUBICZIDUTTNJ-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

102
Patents

227.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.3
[M+Na]+ 250.12023 157.5
[M-H]- 226.12373 157.7
[M+NH4]+ 245.16483 168.9
[M+K]+ 266.09417 153.8
[M+H-H2O]+ 210.12827 143.5
[M+HCOO]- 272.12921 176.6
[M+CH3COO]- 286.14486 193.1
[M+Na-2H]- 248.10568 158.5
[M]+ 227.13046 151.8
[M]- 227.13156 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe