CID 172899

Benzamide, n-[5-[[(5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)methylene]amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]-

Structural Information

Molecular Formula
C29H18N4O5
SMILES
CC1=C(C(=O)NC(=C1C=NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC=CC=C5)O)C#N
InChI
InChI=1S/C29H18N4O5/c1-15-19(13-30)28(37)33-29(38)20(15)14-31-21-11-5-9-17-23(21)25(34)18-10-6-12-22(24(18)26(17)35)32-27(36)16-7-3-2-4-8-16/h2-12,14H,1H3,(H,32,36)(H2,33,37,38)
InChIKey
MSMDFEZWBGBGKD-UHFFFAOYSA-N
Compound name
N-[5-[(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)methylideneamino]-9,10-dioxoanthracen-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.12772 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.13500 232.9
[M+Na]+ 525.11694 243.2
[M-H]- 501.12044 238.8
[M+NH4]+ 520.16154 237.0
[M+K]+ 541.09088 232.8
[M+H-H2O]+ 485.12498 215.0
[M+HCOO]- 547.12592 246.1
[M+CH3COO]- 561.14157 237.5
[M+Na-2H]- 523.10239 232.0
[M]+ 502.12717 227.5
[M]- 502.12827 227.5
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.