CID 207700

Brn 2941051

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(C)NC(=O)C1=C(C=CC(=C1)N)OCC#C
InChI
InChI=1S/C13H16N2O2/c1-4-7-17-12-6-5-10(14)8-11(12)13(16)15-9(2)3/h1,5-6,8-9H,7,14H2,2-3H3,(H,15,16)
InChIKey
OGDGZQSGBWPPIX-UHFFFAOYSA-N
Compound name
5-amino-N-propan-2-yl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 157.6
[M+Na]+ 255.11041 165.6
[M-H]- 231.11391 159.1
[M+NH4]+ 250.15501 172.7
[M+K]+ 271.08435 162.4
[M+H-H2O]+ 215.11845 145.0
[M+HCOO]- 277.11939 174.9
[M+CH3COO]- 291.13504 204.0
[M+Na-2H]- 253.09586 158.1
[M]+ 232.12064 151.7
[M]- 232.12174 151.7
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.