CID 3042221

Brn 1155830

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCC1(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)CN3CCOCC3
InChI
InChI=1S/C18H22N2O4/c1-3-18(16(22)13-6-4-5-7-14(13)17(18)23)19(2)15(21)12-20-8-10-24-11-9-20/h4-7H,3,8-12H2,1-2H3
InChIKey
DPLNJSDJRIRCSZ-UHFFFAOYSA-N
Compound name
N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 176.5
[M+Na]+ 353.14718 181.9
[M-H]- 329.15068 183.9
[M+NH4]+ 348.19178 192.4
[M+K]+ 369.12112 180.8
[M+H-H2O]+ 313.15522 168.8
[M+HCOO]- 375.15616 193.9
[M+CH3COO]- 389.17181 213.3
[M+Na-2H]- 351.13263 177.6
[M]+ 330.15741 176.8
[M]- 330.15851 176.8
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.