CID 504592

2-hydrazino-7-isopropyl-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(C)C1=CC2=C(C=C1)C(=O)OC(=N2)NN
InChI
InChI=1S/C11H13N3O2/c1-6(2)7-3-4-8-9(5-7)13-11(14-12)16-10(8)15/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
NQZUFMUDXZEPHE-UHFFFAOYSA-N
Compound name
2-hydrazinyl-7-propan-2-yl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.7
[M+Na]+ 242.08999 156.9
[M-H]- 218.09349 151.9
[M+NH4]+ 237.13459 164.2
[M+K]+ 258.06393 155.0
[M+H-H2O]+ 202.09803 140.3
[M+HCOO]- 264.09897 170.3
[M+CH3COO]- 278.11462 194.6
[M+Na-2H]- 240.07544 155.2
[M]+ 219.10022 148.6
[M]- 219.10132 148.6
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.