CID 3061295

Brn 4534066

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CCOC1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC=C3OC2
InChI
InChI=1S/C17H17N3O3/c1-2-22-13-9-7-12(8-10-13)17(21)20-19-16-11-23-15-6-4-3-5-14(15)18-16/h3-10H,2,11H2,1H3,(H,18,19)(H,20,21)
InChIKey
KFCOOQFXWSUFEL-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzoxazin-3-yl)-4-ethoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 171.2
[M+Na]+ 334.11620 177.1
[M-H]- 310.11970 177.8
[M+NH4]+ 329.16080 183.2
[M+K]+ 350.09014 174.5
[M+H-H2O]+ 294.12424 161.4
[M+HCOO]- 356.12518 192.5
[M+CH3COO]- 370.14083 208.6
[M+Na-2H]- 332.10165 179.1
[M]+ 311.12643 171.9
[M]- 311.12753 171.9
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.