CID 123465966

Schembl20124864

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC(=NO1)NC2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O/c1-7-6-10(13-14-7)12-9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKey
HRKIGTFDXCWHLT-UHFFFAOYSA-N
Compound name
4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 139.0
[M+Na]+ 212.079428 147.5
[M-H]- 188.082934 145.4
[M+NH4]+ 207.124033 157.1
[M+K]+ 228.053368 145.5
[M+H-H2O]+ 172.087470 131.5
[M+HCOO]- 234.088411 165.0
[M+CH3COO]- 248.104061 186.0
[M+Na-2H]- 210.064876 145.9
[M]+ 189.08966142 138.4
[M]- 189.09075858 138.4
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