CID 135470907

Mls000778052

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)C2=C(OC=C2)C)O
InChI
InChI=1S/C17H21N3O3/c1-4-20(5-2)14-7-6-13(16(21)10-14)11-18-19-17(22)15-8-9-23-12(15)3/h6-11,21H,4-5H2,1-3H3,(H,19,22)/b18-11+
InChIKey
SWHBSYCKEVBSRH-WOJGMQOQSA-N
Compound name
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

315.1583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 177.1
[M+Na]+ 338.14752 182.7
[M-H]- 314.15102 186.2
[M+NH4]+ 333.19212 191.9
[M+K]+ 354.12146 181.6
[M+H-H2O]+ 298.15556 168.6
[M+HCOO]- 360.15650 203.8
[M+CH3COO]- 374.17215 217.2
[M+Na-2H]- 336.13297 179.1
[M]+ 315.15775 180.9
[M]- 315.15885 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.