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]+ 233.128466 157.6
[M+Na]+ 255.110408 165.6
[M-H]- 231.113914 159.1
[M+NH4]+ 250.155013 172.7
[M+K]+ 271.084348 162.4
[M+H-H2O]+ 215.118450 145.0
[M+HCOO]- 277.119391 174.9
[M+CH3COO]- 291.135041 204.0
[M+Na-2H]- 253.095856 158.1
[M]+ 232.12064142 151.7
[M]- 232.12173858 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.