CID 46833662

3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-n-propylpropanamide

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCCNC(=O)C(C)(C)COC1=CC=CC(=C1C#N)N
InChI
InChI=1S/C15H21N3O2/c1-4-8-18-14(19)15(2,3)10-20-13-7-5-6-12(17)11(13)9-16/h5-7H,4,8,10,17H2,1-3H3,(H,18,19)
InChIKey
YEAJJBVTZYRLMH-UHFFFAOYSA-N
Compound name
3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

275.1634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 170.4
[M+Na]+ 298.152618 177.5
[M-H]- 274.156124 172.8
[M+NH4]+ 293.197223 184.3
[M+K]+ 314.126558 175.0
[M+H-H2O]+ 258.160660 157.2
[M+HCOO]- 320.161601 188.7
[M+CH3COO]- 334.177251 215.8
[M+Na-2H]- 296.138066 172.3
[M]+ 275.16285142 166.1
[M]- 275.16394858 166.1
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