CID 27646

16032-73-8

Structural Information

Molecular Formula
C19H26N4O5
SMILES
CCCCN1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
InChI
InChI=1S/C19H26N4O5/c1-4-5-6-22-11-7-23-14-12(16(25)13(20)9(2)15(14)24)10(8-28-18(21)26)19(23,27-3)17(11)22/h10-11,17H,4-8,20H2,1-3H3,(H2,21,26)/t10-,11?,17?,19-,22?/m1/s1
InChIKey
NYDNHNDLODNBRO-WZZNODGGSA-N
Compound name
[(7R,8S)-11-amino-5-butyl-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

390.1903 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19758 194.8
[M+Na]+ 413.17952 205.6
[M-H]- 389.18302 198.4
[M+NH4]+ 408.22412 207.2
[M+K]+ 429.15346 198.9
[M+H-H2O]+ 373.18756 191.0
[M+HCOO]- 435.18850 209.4
[M+CH3COO]- 449.20415 231.4
[M+Na-2H]- 411.16497 192.3
[M]+ 390.18975 202.4
[M]- 390.19085 202.4
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.