CID 15955808

1-[6-(2-dimethylamino-acetylamino)-5-methyl-4-oxo-4h-benzo[d][1,3]oxazin-2-ylamino]-cyclopropanecarboxylic acid methyl ester

Structural Information

Molecular Formula
C18H22N4O5
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC3(CC3)C(=O)OC)NC(=O)CN(C)C
InChI
InChI=1S/C18H22N4O5/c1-10-11(19-13(23)9-22(2)3)5-6-12-14(10)15(24)27-17(20-12)21-18(7-8-18)16(25)26-4/h5-6H,7-9H2,1-4H3,(H,19,23)(H,20,21)
InChIKey
DYSNGETVMUCDPI-UHFFFAOYSA-N
Compound name
methyl 1-[[6-[[2-(dimethylamino)acetyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.15903 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16631 188.3
[M+Na]+ 397.14825 196.9
[M-H]- 373.15175 197.5
[M+NH4]+ 392.19285 196.1
[M+K]+ 413.12219 195.6
[M+H-H2O]+ 357.15629 180.6
[M+HCOO]- 419.15723 210.1
[M+CH3COO]- 433.17288 230.3
[M+Na-2H]- 395.13370 192.9
[M]+ 374.15848 197.3
[M]- 374.15958 197.3
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

patents stripe