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]+ 284.20088 169.7
[M+Na]+ 306.18282 175.1
[M-H]- 282.18632 175.7
[M+NH4]+ 301.22742 185.3
[M+K]+ 322.15676 170.5
[M+H-H2O]+ 266.19086 161.2
[M+HCOO]- 328.19180 193.6
[M+CH3COO]- 342.20745 206.2
[M+Na-2H]- 304.16827 173.9
[M]+ 283.19305 172.0
[M]- 283.19415 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