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
2
Annotation Hits

0
References

17
Patents

233.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 154.5
[M+Na]+ 256.105638 162.5
[M-H]- 232.109144 157.6
[M+NH4]+ 251.150243 170.1
[M+K]+ 272.079578 160.3
[M+H-H2O]+ 216.113680 141.1
[M+HCOO]- 278.114621 175.7
[M+CH3COO]- 292.130271 207.9
[M+Na-2H]- 254.091086 158.3
[M]+ 233.11587142 150.7
[M]- 233.11696858 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