CID 382594

3,3,6-trimethyl-6-(3-((2,2,6-trimethyl-7-oxo-1,4-diazepan-6-yl)oxy)propoxy)-1,4-diazepan-5-one

Structural Information

Molecular Formula
C19H36N4O4
SMILES
CC1(CNCC(C(=O)N1)(C)OCCCOC2(CNCC(NC2=O)(C)C)C)C
InChI
InChI=1S/C19H36N4O4/c1-16(2)10-20-12-18(5,14(24)22-16)26-8-7-9-27-19(6)13-21-11-17(3,4)23-15(19)25/h20-21H,7-13H2,1-6H3,(H,22,24)(H,23,25)
InChIKey
IGMTZHCUSBBJEV-UHFFFAOYSA-N
Compound name
3,3,6-trimethyl-6-[3-[(2,2,6-trimethyl-7-oxo-1,4-diazepan-6-yl)oxy]propoxy]-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.27365 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28093 189.4
[M+Na]+ 407.26287 193.9
[M-H]- 383.26637 188.5
[M+NH4]+ 402.30747 198.4
[M+K]+ 423.23681 192.4
[M+H-H2O]+ 367.27091 178.2
[M+HCOO]- 429.27185 193.4
[M+CH3COO]- 443.28750 216.5
[M+Na-2H]- 405.24832 189.0
[M]+ 384.27310 180.4
[M]- 384.27420 180.4
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.