CID 505818

Schembl9885122

Structural Information

Molecular Formula
C15H9N2O6P
SMILES
C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)OP(=O)(O)O)C(=O)N23
InChI
InChI=1S/C15H9N2O6P/c18-13-9-3-1-2-4-12(9)17-14(13)16-11-6-5-8(23-24(20,21)22)7-10(11)15(17)19/h1-7H,(H2,20,21,22)
InChIKey
VDNBUUUPHGINDK-UHFFFAOYSA-N
Compound name
(6,12-dioxoindolo[2,1-b]quinazolin-2-yl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

344.01984 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.02712 173.3
[M+Na]+ 367.00906 184.0
[M-H]- 343.01256 174.7
[M+NH4]+ 362.05366 187.7
[M+K]+ 382.98300 180.3
[M+H-H2O]+ 327.01710 163.8
[M+HCOO]- 389.01804 194.5
[M+CH3COO]- 403.03369 207.2
[M+Na-2H]- 364.99451 177.9
[M]+ 344.01929 177.9
[M]- 344.02039 177.9
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

patents stripe