CID 135568446

Brn 3639704

Structural Information

Molecular Formula
C30H23N7O3
SMILES
C1=CC=C(C=C1)/C(=N/N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=C4O)/N=NC5=CC=C(C=C5)C(=O)NN
InChI
InChI=1S/C30H23N7O3/c31-33-29(39)22-14-17-23(18-15-22)34-35-28(21-9-2-1-3-10-21)36-37-27(19-16-20-8-4-7-13-26(20)38)32-25-12-6-5-11-24(25)30(37)40/h1-19,38H,31H2,(H,33,39)/b19-16+,35-34?,36-28-
InChIKey
RHIIJSDLDDIQSA-VWQZQYQMSA-N
Compound name
N-[4-(hydrazinecarbonyl)phenyl]imino-N'-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.1862 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.19348 224.9
[M+Na]+ 552.17542 229.2
[M-H]- 528.17892 237.3
[M+NH4]+ 547.22002 226.7
[M+K]+ 568.14936 222.7
[M+H-H2O]+ 512.18346 209.9
[M+HCOO]- 574.18440 249.2
[M+CH3COO]- 588.20005 231.1
[M+Na-2H]- 550.16087 231.1
[M]+ 529.18565 223.9
[M]- 529.18675 223.9
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.