CID 5481001

Chembl303117

Structural Information

Molecular Formula
C23H20N4O3
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@H](C)C3=CC=CC=C3)NC(=O)C4=CC=CC=N4
InChI
InChI=1S/C23H20N4O3/c1-14-17(26-21(28)19-10-6-7-13-24-19)11-12-18-20(14)22(29)30-23(27-18)25-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,25,27)(H,26,28)/t15-/m1/s1
InChIKey
OSZMMGFQRRIBAH-OAHLLOKOSA-N
Compound name
N-[5-methyl-4-oxo-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-6-yl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15353 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 197.4
[M+Na]+ 423.14275 204.2
[M-H]- 399.14625 206.2
[M+NH4]+ 418.18735 203.8
[M+K]+ 439.11669 199.5
[M+H-H2O]+ 383.15079 185.2
[M+HCOO]- 445.15173 216.7
[M+CH3COO]- 459.16738 206.1
[M+Na-2H]- 421.12820 202.8
[M]+ 400.15298 198.8
[M]- 400.15408 198.8
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.