CID 89763

Einecs 245-110-1

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)N(CCC#N)CCO
InChI
InChI=1S/C14H19N3O3/c1-11(19)16-12-4-5-14(20-2)13(10-12)17(8-9-18)7-3-6-15/h4-5,10,18H,3,7-9H2,1-2H3,(H,16,19)
InChIKey
BODCCJMIZYPXCB-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

277.14264 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 165.8
[M+Na]+ 300.13186 172.5
[M-H]- 276.13536 168.4
[M+NH4]+ 295.17646 179.5
[M+K]+ 316.10580 171.0
[M+H-H2O]+ 260.13990 151.8
[M+HCOO]- 322.14084 185.6
[M+CH3COO]- 336.15649 216.0
[M+Na-2H]- 298.11731 167.5
[M]+ 277.14209 163.2
[M]- 277.14319 163.2
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