CID 519413

N-benzyl-4-methoxyaniline

Structural Information

Molecular Formula
C14H15NO
SMILES
COC1=CC=C(C=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C14H15NO/c1-16-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKey
LIJJGMDKVVOEFT-UHFFFAOYSA-N
Compound name
N-benzyl-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

349
Patents

213.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 146.6
[M+Na]+ 236.10459 153.3
[M-H]- 212.10809 153.3
[M+NH4]+ 231.14919 164.8
[M+K]+ 252.07853 149.9
[M+H-H2O]+ 196.11263 139.1
[M+HCOO]- 258.11357 172.3
[M+CH3COO]- 272.12922 190.0
[M+Na-2H]- 234.09004 154.4
[M]+ 213.11482 146.8
[M]- 213.11592 146.8
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