CID 3021317

Brn 0661059

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC1=NOC(=C1CCOC)NC(=O)C(C)N(C)C
InChI
InChI=1S/C12H21N3O3/c1-8-10(6-7-17-5)12(18-14-8)13-11(16)9(2)15(3)4/h9H,6-7H2,1-5H3,(H,13,16)
InChIKey
RTEKYTZMJRMQEU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-[4-(2-methoxyethyl)-3-methyl-1,2-oxazol-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 162.2
[M+Na]+ 278.14752 168.1
[M-H]- 254.15102 166.7
[M+NH4]+ 273.19212 178.6
[M+K]+ 294.12146 169.7
[M+H-H2O]+ 238.15556 154.6
[M+HCOO]- 300.15650 185.6
[M+CH3COO]- 314.17215 205.1
[M+Na-2H]- 276.13297 163.5
[M]+ 255.15775 167.7
[M]- 255.15885 167.7
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

No patent data available for this compound.