CID 9574842

Isonicotinic acid, 2-(4-diehtylaminoethyl)-methylamino-benzylidene) hydrazide

Structural Information

Molecular Formula
C18H23N5O
SMILES
CCN(CC)CNC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C18H23N5O/c1-3-23(4-2)14-20-17-7-5-15(6-8-17)13-21-22-18(24)16-9-11-19-12-10-16/h5-13,20H,3-4,14H2,1-2H3,(H,22,24)/b21-13+
InChIKey
OUUCGVUMNXDOLL-FYJGNVAPSA-N
Compound name
N-[(E)-[4-(diethylaminomethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19025 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19753 178.2
[M+Na]+ 348.17947 181.4
[M-H]- 324.18297 185.4
[M+NH4]+ 343.22407 190.5
[M+K]+ 364.15341 178.5
[M+H-H2O]+ 308.18751 167.2
[M+HCOO]- 370.18845 205.6
[M+CH3COO]- 384.20410 223.7
[M+Na-2H]- 346.16492 183.9
[M]+ 325.18970 179.1
[M]- 325.19080 179.1
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.