CID 15955912

(2z)-5-(hydroxymethyl)-8-methyl-2-[4-(6-methyl-1,3-benzothiazol-4-yl)phenyl]imino-n-phenyl-pyrano[2,3-c]pyridine-3-carboxamide

Structural Information

Molecular Formula
C31H24N4O3S
SMILES
CC1=CC(=C2C(=C1)SC=N2)C3=CC=C(C=C3)N=C4C(=CC5=C(O4)C(=NC=C5CO)C)C(=O)NC6=CC=CC=C6
InChI
InChI=1S/C31H24N4O3S/c1-18-12-24(28-27(13-18)39-17-33-28)20-8-10-23(11-9-20)35-31-26(30(37)34-22-6-4-3-5-7-22)14-25-21(16-36)15-32-19(2)29(25)38-31/h3-15,17,36H,16H2,1-2H3,(H,34,37)
InChIKey
PENVBGUCWSBPAG-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-8-methyl-2-[4-(6-methyl-1,3-benzothiazol-4-yl)phenyl]imino-N-phenylpyrano[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

532.1569 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.16418 229.3
[M+Na]+ 555.14612 238.9
[M-H]- 531.14962 242.7
[M+NH4]+ 550.19072 234.1
[M+K]+ 571.12006 231.7
[M+H-H2O]+ 515.15416 217.8
[M+HCOO]- 577.15510 245.1
[M+CH3COO]- 591.17075 237.1
[M+Na-2H]- 553.13157 231.4
[M]+ 532.15635 235.6
[M]- 532.15745 235.6
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.