CID 117790

Acetamide, n-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-

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 154.5
[M+Na]+ 256.10564 162.5
[M-H]- 232.10914 157.6
[M+NH4]+ 251.15024 170.1
[M+K]+ 272.07958 160.3
[M+H-H2O]+ 216.11368 141.1
[M+HCOO]- 278.11462 175.7
[M+CH3COO]- 292.13027 207.9
[M+Na-2H]- 254.09109 158.3
[M]+ 233.11587 150.7
[M]- 233.11697 150.7
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

patents stripe