CID 25016538

1048346-74-2

Structural Information

Molecular Formula
C12H17N3O
SMILES
CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKey
PPONHQQJLWPUPH-JTQLQIEISA-N
Compound name
(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

68
Patents

219.13716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 149.9
[M+Na]+ 242.12638 155.7
[M-H]- 218.12988 156.6
[M+NH4]+ 237.17098 167.0
[M+K]+ 258.10032 154.8
[M+H-H2O]+ 202.13442 141.5
[M+HCOO]- 264.13536 174.3
[M+CH3COO]- 278.15101 194.6
[M+Na-2H]- 240.11183 154.7
[M]+ 219.13661 149.4
[M]- 219.13771 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe