CID 5497124

95167-41-2

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChIKey
WLKOCYWYAWBGKY-CPNJWEJPSA-N
Compound name
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

200
Patents

311.1634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 174.8
[M+Na]+ 334.15262 179.2
[M-H]- 310.15612 182.5
[M+NH4]+ 329.19722 188.9
[M+K]+ 350.12656 176.3
[M+H-H2O]+ 294.16066 165.4
[M+HCOO]- 356.16160 201.1
[M+CH3COO]- 370.17725 216.8
[M+Na-2H]- 332.13807 178.4
[M]+ 311.16285 175.7
[M]- 311.16395 175.7
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

patents stripe