CID 3061290

Brn 4475473

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CCCC(=O)NNC1=NC2=CC=CC=C2OC1
InChI
InChI=1S/C12H15N3O2/c1-2-5-12(16)15-14-11-8-17-10-7-4-3-6-9(10)13-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,14)(H,15,16)
InChIKey
CHQRJVLWYHJSGX-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzoxazin-3-yl)butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 152.0
[M+Na]+ 256.10564 158.0
[M-H]- 232.10914 155.4
[M+NH4]+ 251.15024 167.6
[M+K]+ 272.07958 156.4
[M+H-H2O]+ 216.11368 143.9
[M+HCOO]- 278.11462 173.5
[M+CH3COO]- 292.13027 194.0
[M+Na-2H]- 254.09109 160.5
[M]+ 233.11587 151.7
[M]- 233.11697 151.7
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.