CID 477732

17287-49-9

Structural Information

Molecular Formula
C19H24N4O6
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N5CCOCC5
InChI
InChI=1S/C19H24N4O6/c1-9-13(22-3-5-28-6-4-22)16(25)12-10(8-29-18(20)26)19(27-2)17-11(21-17)7-23(19)14(12)15(9)24/h10-11,17,21H,3-8H2,1-2H3,(H2,20,26)/t10-,11+,17+,19-/m1/s1
InChIKey
SCKQWYHQTIOHJO-HSVDZBDXSA-N
Compound name
[(4S,6S,7R,8S)-7-methoxy-12-methyl-11-morpholin-4-yl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1696 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17688 199.2
[M+Na]+ 427.15882 208.1
[M-H]- 403.16232 203.5
[M+NH4]+ 422.20342 207.3
[M+K]+ 443.13276 202.8
[M+H-H2O]+ 387.16686 193.8
[M+HCOO]- 449.16780 207.2
[M+CH3COO]- 463.18345 206.5
[M+Na-2H]- 425.14427 196.1
[M]+ 404.16905 202.4
[M]- 404.17015 202.4
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.