CID 3077624

134895-14-0

Structural Information

Molecular Formula
C23H17N5O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N=NC(=NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C23H17N5O3/c1-15-24-20-10-6-5-9-19(20)22(29)28(15)27-26-21(16-7-3-2-4-8-16)25-18-13-11-17(12-14-18)23(30)31/h2-14H,1H3,(H,30,31)
InChIKey
FVAZDKJPQCKADM-UHFFFAOYSA-N
Compound name
4-[[[(2-methyl-4-oxoquinazolin-3-yl)diazenyl]-phenylmethylidene]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.13315 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14043 197.2
[M+Na]+ 434.12237 204.2
[M-H]- 410.12587 207.9
[M+NH4]+ 429.16697 205.3
[M+K]+ 450.09631 199.2
[M+H-H2O]+ 394.13041 184.2
[M+HCOO]- 456.13135 221.6
[M+CH3COO]- 470.14700 206.6
[M+Na-2H]- 432.10782 203.8
[M]+ 411.13260 199.2
[M]- 411.13370 199.2
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.