CID 987476

Methyl 2-amino-1-(2-chlorophenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxylate

Structural Information

Molecular Formula
C18H13ClN4O2
SMILES
COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC=C4Cl)N
InChI
InChI=1S/C18H13ClN4O2/c1-25-18(24)14-15-17(22-12-8-4-3-7-11(12)21-15)23(16(14)20)13-9-5-2-6-10(13)19/h2-9H,20H2,1H3
InChIKey
ILGLPCMHMVPJHR-UHFFFAOYSA-N
Compound name
methyl 2-amino-1-(2-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0727 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07998 181.1
[M+Na]+ 375.06192 193.6
[M-H]- 351.06542 186.6
[M+NH4]+ 370.10652 194.5
[M+K]+ 391.03586 186.3
[M+H-H2O]+ 335.06996 171.6
[M+HCOO]- 397.07090 196.9
[M+CH3COO]- 411.08655 192.2
[M+Na-2H]- 373.04737 185.4
[M]+ 352.07215 186.8
[M]- 352.07325 186.8
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.