CID 15955821

Schembl6498652

Structural Information

Molecular Formula
C23H26N4O3
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NCCC3=CC=CC=C3)NC(=O)CN4CCCC4
InChI
InChI=1S/C23H26N4O3/c1-16-18(25-20(28)15-27-13-5-6-14-27)9-10-19-21(16)22(29)30-23(26-19)24-12-11-17-7-3-2-4-8-17/h2-4,7-10H,5-6,11-15H2,1H3,(H,24,26)(H,25,28)
InChIKey
LTCZMENFNAXWRR-UHFFFAOYSA-N
Compound name
N-[5-methyl-4-oxo-2-(2-phenylethylamino)-3,1-benzoxazin-6-yl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

406.2005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 197.8
[M+Na]+ 429.18972 202.7
[M-H]- 405.19322 206.0
[M+NH4]+ 424.23432 206.0
[M+K]+ 445.16366 197.9
[M+H-H2O]+ 389.19776 186.6
[M+HCOO]- 451.19870 216.3
[M+CH3COO]- 465.21435 206.0
[M+Na-2H]- 427.17517 199.6
[M]+ 406.19995 197.9
[M]- 406.20105 197.9
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.