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]+ 327.20671 180.6
[M+Na]+ 349.18865 184.5
[M-H]- 325.19215 186.4
[M+NH4]+ 344.23325 193.8
[M+K]+ 365.16259 180.3
[M+H-H2O]+ 309.19669 171.3
[M+HCOO]- 371.19763 204.5
[M+CH3COO]- 385.21328 215.7
[M+Na-2H]- 347.17410 183.5
[M]+ 326.19888 182.5
[M]- 326.19998 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