CID 781301

1222781-70-5

Structural Information

Molecular Formula
C19H19NO
SMILES
COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
InChIKey
GIFYKGIODMXYNT-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

277.14667 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15395 164.3
[M+Na]+ 300.13589 171.1
[M-H]- 276.13939 171.6
[M+NH4]+ 295.18049 180.9
[M+K]+ 316.10983 165.8
[M+H-H2O]+ 260.14393 155.7
[M+HCOO]- 322.14487 188.0
[M+CH3COO]- 336.16052 176.1
[M+Na-2H]- 298.12134 171.8
[M]+ 277.14612 165.2
[M]- 277.14722 165.2
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