CID 4402839

Chemdiv3_012508

Structural Information

Molecular Formula
C23H19N3O3
SMILES
CC1=NC=C(C2=C1OC(=NC3=CC=CC=C3)C(=C2)C(=O)NC4=CC=CC=C4)CO
InChI
InChI=1S/C23H19N3O3/c1-15-21-19(16(14-27)13-24-15)12-20(22(28)25-17-8-4-2-5-9-17)23(29-21)26-18-10-6-3-7-11-18/h2-13,27H,14H2,1H3,(H,25,28)
InChIKey
PQJDJVXVZUWULZ-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-8-methyl-N-phenyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

385.14264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 193.2
[M+Na]+ 408.13186 200.5
[M-H]- 384.13536 203.3
[M+NH4]+ 403.17646 201.8
[M+K]+ 424.10580 195.6
[M+H-H2O]+ 368.13990 181.6
[M+HCOO]- 430.14084 214.9
[M+CH3COO]- 444.15649 202.9
[M+Na-2H]- 406.11731 199.5
[M]+ 385.14209 194.6
[M]- 385.14319 194.6
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.