CID 478570

2-chloro-8-nitroindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H6ClN3O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=NC4=C(C=C(C=C4)Cl)C(=O)N23
InChI
InChI=1S/C15H6ClN3O4/c16-7-1-3-11-9(5-7)15(21)18-12-4-2-8(19(22)23)6-10(12)13(20)14(18)17-11/h1-6H
InChIKey
HFVSVJHEJLREQL-UHFFFAOYSA-N
Compound name
2-chloro-8-nitroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.00467 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.01195 169.0
[M+Na]+ 349.99389 181.1
[M-H]- 325.99739 173.9
[M+NH4]+ 345.03849 185.3
[M+K]+ 365.96783 171.0
[M+H-H2O]+ 310.00193 166.1
[M+HCOO]- 372.00287 185.5
[M+CH3COO]- 386.01852 202.5
[M+Na-2H]- 347.97934 177.4
[M]+ 327.00412 173.3
[M]- 327.00522 173.3
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

patents stripe