CID 135491421

Chembl3091646

Structural Information

Molecular Formula
C19H22N4O2
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC(=C2O)CN3CCCC3
InChI
InChI=1S/C19H22N4O2/c1-14(21-22-19(25)15-7-9-20-10-8-15)17-6-4-5-16(18(17)24)13-23-11-2-3-12-23/h4-10,24H,2-3,11-13H2,1H3,(H,22,25)/b21-14+
InChIKey
YGEVVVKXABWLBW-KGENOOAVSA-N
Compound name
N-[(E)-1-[2-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.1743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 180.0
[M+Na]+ 361.16352 183.4
[M-H]- 337.16702 186.6
[M+NH4]+ 356.20812 191.1
[M+K]+ 377.13746 179.1
[M+H-H2O]+ 321.17156 169.4
[M+HCOO]- 383.17250 200.3
[M+CH3COO]- 397.18815 214.0
[M+Na-2H]- 359.14897 180.9
[M]+ 338.17375 176.7
[M]- 338.17485 176.7
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

No patent data available for this compound.