CID 132915918

(z)-3-methoxy-n-methyl-n-[(z)-5-[(3s,6r,8s,11s)-4,6,8-trimethyl-3-(2-methylpropyl)-2,5-dioxo-1-oxa-4-azacycloundec-11-yl]pent-1-enyl]pent-2-enamide

Structural Information

Molecular Formula
C28H48N2O5
SMILES
CC/C(=C/C(=O)N(C)/C=C\CCC[C@H]1CC[C@@H](C[C@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)C)C)/OC
InChI
InChI=1S/C28H48N2O5/c1-9-23(34-8)19-26(31)29(6)16-12-10-11-13-24-15-14-21(4)18-22(5)27(32)30(7)25(17-20(2)3)28(33)35-24/h12,16,19-22,24-25H,9-11,13-15,17-18H2,1-8H3/b16-12-,23-19-/t21-,22+,24-,25-/m0/s1
InChIKey
MTZDCZNHECVTPF-ZIXRUXROSA-N
Compound name
(Z)-3-methoxy-N-methyl-N-[(Z)-5-[(3S,6R,8S,11S)-4,6,8-trimethyl-3-(2-methylpropyl)-2,5-dioxo-1-oxa-4-azacycloundec-11-yl]pent-1-enyl]pent-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.35632 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.36360 222.8
[M+Na]+ 515.34554 224.2
[M-H]- 491.34904 223.0
[M+NH4]+ 510.39014 226.0
[M+K]+ 531.31948 223.1
[M+H-H2O]+ 475.35358 218.2
[M+HCOO]- 537.35452 233.1
[M+CH3COO]- 551.37017 247.7
[M+Na-2H]- 513.33099 211.4
[M]+ 492.35577 224.1
[M]- 492.35687 224.1
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.