CID 3046007

Acetamide, 2-(butylamino)-n-(2-methyl-4-(phenylmethoxy)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CCCCNCC(=O)NC1=C(C=C(C=C1)OCC2=CC=CC=C2)C
InChI
InChI=1S/C20H26N2O2/c1-3-4-12-21-14-20(23)22-19-11-10-18(13-16(19)2)24-15-17-8-6-5-7-9-17/h5-11,13,21H,3-4,12,14-15H2,1-2H3,(H,22,23)
InChIKey
XHVBYDMKTVTISA-UHFFFAOYSA-N
Compound name
2-(butylamino)-N-(2-methyl-4-phenylmethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 180.6
[M+Na]+ 349.188648 184.5
[M-H]- 325.192154 186.4
[M+NH4]+ 344.233253 193.8
[M+K]+ 365.162588 180.3
[M+H-H2O]+ 309.196690 171.3
[M+HCOO]- 371.197631 204.5
[M+CH3COO]- 385.213281 215.7
[M+Na-2H]- 347.174096 183.5
[M]+ 326.19888142 182.5
[M]- 326.19997858 182.5
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