CID 83425

1h-naphth(2,3-f)isoindole-1,5,10-trione, 4,11-diamino-2,3-dihydro-3-imino-

Structural Information

Molecular Formula
C16H10N4O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=NC4=O)N)N
InChI
InChI=1S/C16H10N4O3/c17-11-7-8(12(18)10-9(11)15(19)20-16(10)23)14(22)6-4-2-1-3-5(6)13(7)21/h1-4H,17-18H2,(H2,19,20,23)
InChIKey
ZRWPJWRJYCWZGD-UHFFFAOYSA-N
Compound name
1,4,11-triaminonaphtho[2,3-f]isoindole-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

306.0753 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08258 166.5
[M+Na]+ 329.06452 181.6
[M-H]- 305.06802 173.3
[M+NH4]+ 324.10912 184.5
[M+K]+ 345.03846 175.3
[M+H-H2O]+ 289.07256 159.5
[M+HCOO]- 351.07350 192.1
[M+CH3COO]- 365.08915 180.0
[M+Na-2H]- 327.04997 172.5
[M]+ 306.07475 170.0
[M]- 306.07585 170.0
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