CID 379454

101976-55-0

Structural Information

Molecular Formula
C11H15N3O
SMILES
CN(C)C1=CC=CC(=C1)NC2=NCCO2
InChI
InChI=1S/C11H15N3O/c1-14(2)10-5-3-4-9(8-10)13-11-12-6-7-15-11/h3-5,8H,6-7H2,1-2H3,(H,12,13)
InChIKey
CORXVKVPRFOTID-UHFFFAOYSA-N
Compound name
1-N-(4,5-dihydro-1,3-oxazol-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 145.3
[M+Na]+ 228.11072 151.5
[M-H]- 204.11422 152.7
[M+NH4]+ 223.15532 163.3
[M+K]+ 244.08466 151.3
[M+H-H2O]+ 188.11876 137.1
[M+HCOO]- 250.11970 170.6
[M+CH3COO]- 264.13535 191.5
[M+Na-2H]- 226.09617 151.6
[M]+ 205.12095 145.3
[M]- 205.12205 145.3
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.