CID 112570

N-[3-[(2,3-dihydroxypropyl)amino]-4-methoxyphenyl]acetamide

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)NCC(CO)O
InChI
InChI=1S/C12H18N2O4/c1-8(16)14-9-3-4-12(18-2)11(5-9)13-6-10(17)7-15/h3-5,10,13,15,17H,6-7H2,1-2H3,(H,14,16)
InChIKey
NOZUFNYPCCFIKF-UHFFFAOYSA-N
Compound name
N-[3-(2,3-dihydroxypropylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 157.5
[M+Na]+ 277.11588 162.2
[M-H]- 253.11938 158.3
[M+NH4]+ 272.16048 172.5
[M+K]+ 293.08982 160.6
[M+H-H2O]+ 237.12392 150.6
[M+HCOO]- 299.12486 179.0
[M+CH3COO]- 313.14051 196.5
[M+Na-2H]- 275.10133 159.8
[M]+ 254.12611 157.6
[M]- 254.12721 157.6
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