CID 117790

26408-28-6

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)NCCC#N
InChI
InChI=1S/C12H15N3O2/c1-9(16)15-10-4-5-12(17-2)11(8-10)14-7-3-6-13/h4-5,8,14H,3,7H2,1-2H3,(H,15,16)
InChIKey
OVTCINJDJPHUBX-UHFFFAOYSA-N
Compound name
N-[3-(2-cyanoethylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

233.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 155.9
[M+Na]+ 256.10564 165.4
[M+NH4]+ 251.15024 159.1
[M+K]+ 272.07958 156.7
[M-H]- 232.10914 150.5
[M+Na-2H]- 254.09109 158.3
[M]+ 233.11587 154.6
[M]- 233.11697 154.6
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