CID 1617274

3241-01-8

Structural Information

Molecular Formula
C16H19NO
SMILES
COC1=CC=C(C=C1)CNCCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKey
ONSSOYCKZSYAQS-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

241.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 155.9
[M+Na]+ 264.13589 161.7
[M-H]- 240.13939 162.1
[M+NH4]+ 259.18049 172.9
[M+K]+ 280.10983 157.7
[M+H-H2O]+ 224.14393 147.8
[M+HCOO]- 286.14487 180.9
[M+CH3COO]- 300.16052 196.1
[M+Na-2H]- 262.12134 162.5
[M]+ 241.14612 156.7
[M]- 241.14722 156.7
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