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]+ 391.19758 192.8
[M+Na]+ 413.17952 191.7
[M-H]- 389.18302 199.9
[M+NH4]+ 408.22412 196.2
[M+K]+ 429.15346 196.2
[M+H-H2O]+ 373.18756 180.7
[M+HCOO]- 435.18850 205.0
[M+CH3COO]- 449.20415 222.0
[M+Na-2H]- 411.16497 193.2
[M]+ 390.18975 184.9
[M]- 390.19085 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.