CID 54712290

Nsc647424

Structural Information

Molecular Formula
C30H30N4O4
SMILES
C1CCN(C1)CC/C(=N/NC(=O)C2=CC=NC=C2)/CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C30H30N4O4/c35-28-24-10-4-5-11-26(24)38-30(37)27(28)25(21-8-2-1-3-9-21)20-23(14-19-34-17-6-7-18-34)32-33-29(36)22-12-15-31-16-13-22/h1-5,8-13,15-16,25,35H,6-7,14,17-20H2,(H,33,36)/b32-23-
InChIKey
MKZNKBVEQXJSTA-SJIPCVTESA-N
Compound name
N-[(E)-[1-(4-hydroxy-2-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.2267 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.23398 221.1
[M+Na]+ 533.21592 222.1
[M-H]- 509.21942 231.2
[M+NH4]+ 528.26052 223.3
[M+K]+ 549.18986 217.5
[M+H-H2O]+ 493.22396 208.1
[M+HCOO]- 555.22490 236.4
[M+CH3COO]- 569.24055 226.3
[M+Na-2H]- 531.20137 220.5
[M]+ 510.22615 219.6
[M]- 510.22725 219.6
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.