CID 372942

Nsc648654

Structural Information

Molecular Formula
C24H21N7O6
SMILES
COC1=C(C(=CC=C1)OC)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3N=C2NNC(=O)C4=CC=NC=C4
InChI
InChI=1S/C24H21N7O6/c1-36-17-8-5-9-18(37-2)19(17)27-21(33)22(34)30-31-23(35)15-6-3-4-7-16(15)26-24(31)29-28-20(32)14-10-12-25-13-11-14/h3-13H,1-2H3,(H,26,29)(H,27,33)(H,28,32)(H,30,34)
InChIKey
BFXZERPKTYBWCO-UHFFFAOYSA-N
Compound name
N-(2,6-dimethoxyphenyl)-N'-[4-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]quinazolin-3-yl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.15533 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.16261 212.6
[M+Na]+ 526.14455 216.8
[M-H]- 502.14805 219.8
[M+NH4]+ 521.18915 213.8
[M+K]+ 542.11849 213.9
[M+H-H2O]+ 486.15259 199.4
[M+HCOO]- 548.15353 232.9
[M+CH3COO]- 562.16918 251.5
[M+Na-2H]- 524.13000 218.7
[M]+ 503.15478 215.3
[M]- 503.15588 215.3
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.