CID 205563

18188-79-9

Structural Information

Molecular Formula
C19H26N4O5
SMILES
C1COCCN1CC(=O)NC2=CC=C(C(=O)C=C2)NC(=O)CN3CCOCC3
InChI
InChI=1S/C19H26N4O5/c24-17-4-2-15(20-18(25)13-22-5-9-27-10-6-22)1-3-16(17)21-19(26)14-23-7-11-28-12-8-23/h1-4H,5-14H2,(H,20,25)(H,21,24,26)
InChIKey
YSWVIUVLAUXZCY-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-[4-[(2-morpholin-4-ylacetyl)amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1903 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.197576 192.8
[M+Na]+ 413.179518 191.7
[M-H]- 389.183024 199.9
[M+NH4]+ 408.224123 196.2
[M+K]+ 429.153458 196.2
[M+H-H2O]+ 373.187560 180.7
[M+HCOO]- 435.188501 205.0
[M+CH3COO]- 449.204151 222.0
[M+Na-2H]- 411.164966 193.2
[M]+ 390.18975142 184.9
[M]- 390.19084858 184.9
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.