CID 67192

128-81-4

Structural Information

Molecular Formula
C16H9N3O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=O)NC4=O)N
InChI
InChI=1S/C16H9N3O4/c17-11-7-8(12(18)10-9(11)15(22)19-16(10)23)14(21)6-4-2-1-3-5(6)13(7)20/h1-4H,17-18H2,(H,19,22,23)
InChIKey
UOBRDAVIVQKFCM-UHFFFAOYSA-N
Compound name
4,11-diaminonaphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

307.0593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06658 165.1
[M+Na]+ 330.04852 180.6
[M-H]- 306.05202 171.1
[M+NH4]+ 325.09312 182.8
[M+K]+ 346.02246 173.9
[M+H-H2O]+ 290.05656 158.5
[M+HCOO]- 352.05750 189.1
[M+CH3COO]- 366.07315 178.6
[M+Na-2H]- 328.03397 171.1
[M]+ 307.05875 169.0
[M]- 307.05985 169.0
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