CID 15955143

{5-methyl-2-[1-(methyl-pyridin-3-ylmethyl-carbamoyl)-cyclopentylamino]-4-oxo-4h-benzo[d][1,3]oxazin-6-yl}-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C27H33N5O5
SMILES
CCN(C1=CN=CC=C1)C(=O)C2(CCCC2)NC3=NC4=C(C(=C(C=C4)NC(=O)OC(C)(C)C)C)C(=O)O3
InChI
InChI=1S/C27H33N5O5/c1-6-32(18-10-9-15-28-16-18)23(34)27(13-7-8-14-27)31-24-29-20-12-11-19(17(2)21(20)22(33)36-24)30-25(35)37-26(3,4)5/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,29,31)(H,30,35)
InChIKey
ZXFDEJMYMQKQIF-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[[1-[ethyl(pyridin-3-yl)carbamoyl]cyclopentyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.24817 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.25545 221.3
[M+Na]+ 530.23739 224.4
[M-H]- 506.24089 231.0
[M+NH4]+ 525.28199 227.5
[M+K]+ 546.21133 223.7
[M+H-H2O]+ 490.24543 210.7
[M+HCOO]- 552.24637 237.9
[M+CH3COO]- 566.26202 251.4
[M+Na-2H]- 528.22284 223.7
[M]+ 507.24762 224.6
[M]- 507.24872 224.6
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.