CID 26876

Brn 1182835

Structural Information

Molecular Formula
C19H26N4O5
SMILES
CCCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C
InChI
InChI=1S/C19H26N4O5/c1-4-5-6-21-13-9(2)15(24)14-12(16(13)25)10(8-28-18(20)26)19(27-3)17-11(22-17)7-23(14)19/h10-11,17,21-22H,4-8H2,1-3H3,(H2,20,26)/t10-,11?,17?,19-/m1/s1
InChIKey
MUMZSESJJXSLPZ-FWXNFGMDSA-N
Compound name
[(7R,8S)-11-(butylamino)-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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19758 193.0
[M+Na]+ 413.17952 202.7
[M-H]- 389.18302 195.5
[M+NH4]+ 408.22412 204.7
[M+K]+ 429.15346 195.6
[M+H-H2O]+ 373.18756 189.1
[M+HCOO]- 435.18850 206.9
[M+CH3COO]- 449.20415 228.5
[M+Na-2H]- 411.16497 191.8
[M]+ 390.18975 199.5
[M]- 390.19085 199.5
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.