CID 682011

7h,11h-benz[de]imidazo[4',5':5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione, 10,12-dihydro-

Structural Information

Molecular Formula
C19H10N4O2
SMILES
C1=CC2=C3C(=C1)C4=NC5=C(N4C(=O)C3=CC=C2)C=C6C(=C5)NC(=O)N6
InChI
InChI=1S/C19H10N4O2/c24-18-11-6-2-4-9-3-1-5-10(16(9)11)17-20-14-7-12-13(22-19(25)21-12)8-15(14)23(17)18/h1-8H,(H2,21,22,25)
InChIKey
FRNXZNBGSBEKHW-UHFFFAOYSA-N
Compound name
3,7,9,13-tetrazahexacyclo[13.7.1.02,13.04,12.06,10.019,23]tricosa-1(22),2,4(12),5,10,15,17,19(23),20-nonaene-8,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

326.08038 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08766 172.6
[M+Na]+ 349.06960 188.8
[M-H]- 325.07310 175.9
[M+NH4]+ 344.11420 189.2
[M+K]+ 365.04354 179.4
[M+H-H2O]+ 309.07764 164.1
[M+HCOO]- 371.07858 190.2
[M+CH3COO]- 385.09423 184.5
[M+Na-2H]- 347.05505 180.9
[M]+ 326.07983 179.5
[M]- 326.08093 179.5
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