CID 14141

1085-32-1

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=NOC(=C1)C(=O)NNCC2=CC=CC=C2
InChI
InChI=1S/C12H13N3O2/c1-9-7-11(17-15-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
InChIKey
SZOGVNNFYRYSLY-UHFFFAOYSA-N
Compound name
N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.7
[M+Na]+ 254.08999 157.2
[M-H]- 230.09349 157.0
[M+NH4]+ 249.13459 166.8
[M+K]+ 270.06393 155.6
[M+H-H2O]+ 214.09803 142.4
[M+HCOO]- 276.09897 176.0
[M+CH3COO]- 290.11462 193.0
[M+Na-2H]- 252.07544 157.0
[M]+ 231.10022 151.3
[M]- 231.10132 151.3
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.