CID 109374247

4117-86-6

Structural Information

Molecular Formula
C17H20N4O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N5CC5
InChI
InChI=1S/C17H20N4O5/c1-7-11(20-3-4-20)14(23)10-8(6-26-16(18)24)17(25-2)15-9(19-15)5-21(17)12(10)13(7)22/h8-9,15,19H,3-6H2,1-2H3,(H2,18,24)/t8-,9+,15+,17-/m1/s1
InChIKey
FKJOSOXAGBHNJN-CJUKMMNNSA-N
Compound name
[(4S,6S,7R,8S)-11-(aziridin-1-yl)-7-methoxy-12-methyl-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

360.14337 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15065 161.9
[M+Na]+ 383.13259 172.5
[M+NH4]+ 378.17719 169.3
[M+K]+ 399.10653 174.0
[M-H]- 359.13609 174.4
[M+Na-2H]- 381.11804 167.7
[M]+ 360.14282 168.8
[M]- 360.14392 168.8
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.