CID 100678

87607-29-2

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)OCC(=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C16H16N4O3/c1-2-22-16(21)20-13-8-12-14(15(17)19-13)18-11(9-23-12)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,17,19,20,21)
InChIKey
QRMBOSPEQFQJFS-UHFFFAOYSA-N
Compound name
ethyl N-(5-amino-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

312.12225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 172.8
[M+Na]+ 335.11147 179.9
[M-H]- 311.11497 178.0
[M+NH4]+ 330.15607 183.3
[M+K]+ 351.08541 176.9
[M+H-H2O]+ 295.11951 162.5
[M+HCOO]- 357.12045 192.4
[M+CH3COO]- 371.13610 209.8
[M+Na-2H]- 333.09692 179.3
[M]+ 312.12170 173.1
[M]- 312.12280 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe