CID 468722

Chembl303802

Structural Information

Molecular Formula
C23H26N4O3
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@H](C)C3=CC=CC=C3)NC(=O)CN4CCCC4
InChI
InChI=1S/C23H26N4O3/c1-15-18(25-20(28)14-27-12-6-7-13-27)10-11-19-21(15)22(29)30-23(26-19)24-16(2)17-8-4-3-5-9-17/h3-5,8-11,16H,6-7,12-14H2,1-2H3,(H,24,26)(H,25,28)/t16-/m1/s1
InChIKey
KVLYICFXIMSNCL-MRXNPFEDSA-N
Compound name
N-[5-methyl-4-oxo-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-6-yl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 198.2
[M+Na]+ 429.18972 202.8
[M-H]- 405.19322 206.5
[M+NH4]+ 424.23432 206.3
[M+K]+ 445.16366 198.6
[M+H-H2O]+ 389.19776 187.3
[M+HCOO]- 451.19870 215.7
[M+CH3COO]- 465.21435 206.3
[M+Na-2H]- 427.17517 198.9
[M]+ 406.19995 197.8
[M]- 406.20105 197.8
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.