CID 56424

Gb-327

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCCCOC1=CC=C(C=C1)NCC(=O)N(C)C
InChI
InChI=1S/C14H22N2O2/c1-4-5-10-18-13-8-6-12(7-9-13)15-11-14(17)16(2)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKey
PPRDHOZVRKPWRO-UHFFFAOYSA-N
Compound name
2-(4-butoxyanilino)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 160.8
[M+Na]+ 273.15734 165.3
[M-H]- 249.16084 165.2
[M+NH4]+ 268.20194 178.0
[M+K]+ 289.13128 164.5
[M+H-H2O]+ 233.16538 153.1
[M+HCOO]- 295.16632 185.8
[M+CH3COO]- 309.18197 204.2
[M+Na-2H]- 271.14279 164.1
[M]+ 250.16757 164.0
[M]- 250.16867 164.0
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

No patent data available for this compound.