CID 129009787

Brn 0584816

Structural Information

Molecular Formula
C17H22N4O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)O)N4C)N(C)C
InChI
InChI=1S/C17H22N4O5/c1-7-11(19(2)3)14(23)10-8(6-26-16(18)24)17(25)15-9(20(15)4)5-21(17)12(10)13(7)22/h8-9,15,25H,5-6H2,1-4H3,(H2,18,24)/t8-,9+,15+,17-,20?/m1/s1
InChIKey
PTDRXMIOUXHXFC-SCHVZWQHSA-N
Compound name
[(4S,6S,7R,8S)-11-(dimethylamino)-7-hydroxy-5,12-dimethyl-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

362.15903 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16631 182.1
[M+Na]+ 385.14825 190.8
[M+NH4]+ 380.19285 189.1
[M+K]+ 401.12219 191.3
[M-H]- 361.15175 188.4
[M+Na-2H]- 383.13370 182.9
[M]+ 362.15848 185.9
[M]- 362.15958 185.9
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.