CID 44146810

91119-65-2

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)/C(=N\OCC(=O)OCCN(CC)CC)/C
InChI
InChI=1S/C20H29N3O5/c1-5-22(6-2)10-11-26-20(25)14-28-21-15(4)16-8-9-18-17(12-16)23(7-3)19(24)13-27-18/h8-9,12H,5-7,10-11,13-14H2,1-4H3/b21-15-
InChIKey
IELHCRIETMBZKQ-QNGOZBTKSA-N
Compound name
2-(diethylamino)ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.21072 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 195.9
[M+Na]+ 414.19994 199.3
[M-H]- 390.20344 200.9
[M+NH4]+ 409.24454 206.1
[M+K]+ 430.17388 199.8
[M+H-H2O]+ 374.20798 186.0
[M+HCOO]- 436.20892 214.9
[M+CH3COO]- 450.22457 233.2
[M+Na-2H]- 412.18539 196.8
[M]+ 391.21017 203.1
[M]- 391.21127 203.1
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.