CID 9589331

Brn 3638993

Structural Information

Molecular Formula
C28H21N7O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2/N=C(/C4=CC=CO4)\N=NC5=CC=C(C=C5)C(=O)NN
InChI
InChI=1S/C28H21N7O3/c29-31-27(36)20-13-15-21(16-14-20)32-33-26(24-11-6-18-38-24)34-35-25(17-12-19-7-2-1-3-8-19)30-23-10-5-4-9-22(23)28(35)37/h1-18H,29H2,(H,31,36)/b17-12+,33-32?,34-26-
InChIKey
OMWNXXGYZVHCBM-JXCAKBOBSA-N
Compound name
N-[4-(hydrazinecarbonyl)phenyl]imino-N'-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]furan-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.1706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.17788 219.6
[M+Na]+ 526.15982 225.4
[M-H]- 502.16332 235.0
[M+NH4]+ 521.20442 223.8
[M+K]+ 542.13376 220.6
[M+H-H2O]+ 486.16786 205.6
[M+HCOO]- 548.16880 247.5
[M+CH3COO]- 562.18445 227.9
[M+Na-2H]- 524.14527 225.6
[M]+ 503.17005 222.3
[M]- 503.17115 222.3
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.