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]+ 308.160476 174.3
[M+Na]+ 330.142418 177.5
[M-H]- 306.145924 181.7
[M+NH4]+ 325.187023 187.4
[M+K]+ 346.116358 179.9
[M+H-H2O]+ 290.150460 165.5
[M+HCOO]- 352.151401 196.1
[M+CH3COO]- 366.167051 216.6
[M+Na-2H]- 328.127866 179.9
[M]+ 307.15265142 177.6
[M]- 307.15374858 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.