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]+ 206.128776 145.3
[M+Na]+ 228.110718 151.5
[M-H]- 204.114224 152.7
[M+NH4]+ 223.155323 163.3
[M+K]+ 244.084658 151.3
[M+H-H2O]+ 188.118760 137.1
[M+HCOO]- 250.119701 170.6
[M+CH3COO]- 264.135351 191.5
[M+Na-2H]- 226.096166 151.6
[M]+ 205.12095142 145.3
[M]- 205.12204858 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.