CID 81153

6647-13-8

Structural Information

Molecular Formula
C20H18N4O4
SMILES
CCOCCN1C(=N)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H18N4O4/c1-2-28-8-7-24-19(23)13-14(20(24)27)16(22)12-11(15(13)21)17(25)9-5-3-4-6-10(9)18(12)26/h3-6,23H,2,7-8,21-22H2,1H3
InChIKey
WYZSBSMGZHFJJH-UHFFFAOYSA-N
Compound name
4,11-diamino-2-(2-ethoxyethyl)-1-iminonaphtho[2,3-f]isoindole-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

378.1328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14008 188.4
[M+Na]+ 401.12202 202.5
[M+NH4]+ 396.16662 194.3
[M+K]+ 417.09596 197.4
[M-H]- 377.12552 191.7
[M+Na-2H]- 399.10747 191.5
[M]+ 378.13225 191.1
[M]- 378.13335 191.1
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