CID 2462935

N-{[4-(benzyloxy)phenyl]methyl}aniline

Structural Information

Molecular Formula
C20H19NO
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC3=CC=CC=C3
InChI
InChI=1S/C20H19NO/c1-3-7-18(8-4-1)16-22-20-13-11-17(12-14-20)15-21-19-9-5-2-6-10-19/h1-14,21H,15-16H2
InChIKey
HDQPAJASLIOZHY-UHFFFAOYSA-N
Compound name
N-[(4-phenylmethoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

289.14667 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15395 167.9
[M+Na]+ 312.13589 173.2
[M-H]- 288.13939 176.8
[M+NH4]+ 307.18049 182.2
[M+K]+ 328.10983 167.6
[M+H-H2O]+ 272.14393 158.3
[M+HCOO]- 334.14487 192.7
[M+CH3COO]- 348.16052 179.0
[M+Na-2H]- 310.12134 174.8
[M]+ 289.14612 167.3
[M]- 289.14722 167.3
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