CID 129009775

Brn 0864456

Structural Information

Molecular Formula
C19H24N4O6
SMILES
CCCC(=O)N1[C@@H]2[C@H]1C3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
InChI
InChI=1S/C19H24N4O6/c1-4-5-11(24)23-10-6-22-14-12(16(26)13(20)8(2)15(14)25)9(7-29-18(21)27)19(22,28-3)17(10)23/h9-10,17H,4-7,20H2,1-3H3,(H2,21,27)/t9-,10+,17+,19?,23?/m1/s1
InChIKey
DCHJWLSTFSRMHO-JBTQJBKUSA-N
Compound name
[(4S,6S,8S)-11-amino-5-butanoyl-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

404.1696 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17688 196.3
[M+Na]+ 427.15882 206.8
[M-H]- 403.16232 200.0
[M+NH4]+ 422.20342 207.9
[M+K]+ 443.13276 200.7
[M+H-H2O]+ 387.16686 193.1
[M+HCOO]- 449.16780 210.2
[M+CH3COO]- 463.18345 233.3
[M+Na-2H]- 425.14427 193.2
[M]+ 404.16905 204.1
[M]- 404.17015 204.1
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.