CID 3051216

1-butanamine, n-methyl-4-(2-methyl-6-(phenylmethyl)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C19H25NO
SMILES
CC1=C(C(=CC=C1)CC2=CC=CC=C2)OCCCCNC
InChI
InChI=1S/C19H25NO/c1-16-9-8-12-18(15-17-10-4-3-5-11-17)19(16)21-14-7-6-13-20-2/h3-5,8-12,20H,6-7,13-15H2,1-2H3
InChIKey
ZNOPOBCUIACOAK-UHFFFAOYSA-N
Compound name
4-(2-benzyl-6-methylphenoxy)-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.200876 169.7
[M+Na]+ 306.182818 175.1
[M-H]- 282.186324 175.7
[M+NH4]+ 301.227423 185.3
[M+K]+ 322.156758 170.5
[M+H-H2O]+ 266.190860 161.2
[M+HCOO]- 328.191801 193.6
[M+CH3COO]- 342.207451 206.2
[M+Na-2H]- 304.168266 173.9
[M]+ 283.19305142 172.0
[M]- 283.19414858 172.0
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