CID 457969

Nsc 327986

Structural Information

Molecular Formula
C20H26N4O6
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCC5CCCO5
InChI
InChI=1S/C20H26N4O6/c1-9-14(22-6-10-4-3-5-29-10)17(26)13-11(8-30-19(21)27)20(28-2)18-12(23-18)7-24(20)15(13)16(9)25/h10-12,18,22-23H,3-8H2,1-2H3,(H2,21,27)/t10?,11-,12+,18+,20-/m1/s1
InChIKey
IBHSJZCRJYNJFO-LSJTXQMRSA-N
Compound name
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(oxolan-2-ylmethylamino)-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

418.18524 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19252 193.0
[M+Na]+ 441.17446 201.1
[M-H]- 417.17796 199.1
[M+NH4]+ 436.21906 203.5
[M+K]+ 457.14840 195.9
[M+H-H2O]+ 401.18250 190.2
[M+HCOO]- 463.18344 205.0
[M+CH3COO]- 477.19909 231.0
[M+Na-2H]- 439.15991 190.4
[M]+ 418.18469 197.9
[M]- 418.18579 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.