CID 457970

4349-74-0

Structural Information

Molecular Formula
C19H24N4O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N5CCCC5
InChI
InChI=1S/C19H24N4O5/c1-9-13(22-5-3-4-6-22)16(25)12-10(8-28-18(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
IWUUZLDYISMSIM-HSVDZBDXSA-N
Compound name
[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-pyrrolidin-1-yl-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

388.17468 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18196 194.8
[M+Na]+ 411.16390 204.3
[M-H]- 387.16740 199.3
[M+NH4]+ 406.20850 206.7
[M+K]+ 427.13784 197.4
[M+H-H2O]+ 371.17194 190.9
[M+HCOO]- 433.17288 205.9
[M+CH3COO]- 447.18853 202.9
[M+Na-2H]- 409.14935 189.8
[M]+ 388.17413 198.1
[M]- 388.17523 198.1
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.