CID 135433165

147017-71-8

Structural Information

Molecular Formula
C15H21N3O4
SMILES
CC(=O)N/C(=N\OCCN(C)C)/C1COC2=CC=CC=C2O1
InChI
InChI=1S/C15H21N3O4/c1-11(19)16-15(17-21-9-8-18(2)3)14-10-20-12-6-4-5-7-13(12)22-14/h4-7,14H,8-10H2,1-3H3,(H,16,17,19)
InChIKey
YIIXKHYEJGGUNK-UHFFFAOYSA-N
Compound name
N-[(Z)-C-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(dimethylamino)ethoxy]carbonimidoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16048 174.3
[M+Na]+ 330.14242 177.5
[M-H]- 306.14592 181.7
[M+NH4]+ 325.18702 187.4
[M+K]+ 346.11636 179.9
[M+H-H2O]+ 290.15046 165.5
[M+HCOO]- 352.15140 196.1
[M+CH3COO]- 366.16705 216.6
[M+Na-2H]- 328.12787 179.9
[M]+ 307.15265 177.6
[M]- 307.15375 177.6
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.