CID 400212

Nsc711730

Structural Information

Molecular Formula
C19H12F3N3O2
SMILES
C1=CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=C1)NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C19H12F3N3O2/c20-19(21,22)12-5-8-15-14(10-12)24-17(16-2-1-9-25(15)16)23-13-6-3-11(4-7-13)18(26)27/h1-10H,(H,23,24)(H,26,27)
InChIKey
VVDHEEMJIQCXTL-UHFFFAOYSA-N
Compound name
4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

371.08817 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09545 182.8
[M+Na]+ 394.07739 193.4
[M-H]- 370.08089 184.8
[M+NH4]+ 389.12199 195.2
[M+K]+ 410.05133 186.1
[M+H-H2O]+ 354.08543 171.6
[M+HCOO]- 416.08637 198.6
[M+CH3COO]- 430.10202 192.4
[M+Na-2H]- 392.06284 187.8
[M]+ 371.08762 181.4
[M]- 371.08872 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.