CID 103086

Einecs 265-334-3

Structural Information

Molecular Formula
C22H21N3O6
SMILES
COCCOCCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H21N3O6/c1-30-9-10-31-8-4-7-25-21(28)15-16(22(25)29)18(24)14-13(17(15)23)19(26)11-5-2-3-6-12(11)20(14)27/h2-3,5-6H,4,7-10,23-24H2,1H3
InChIKey
SOYBSGQXDYYMDH-UHFFFAOYSA-N
Compound name
4,11-diamino-2-[3-(2-methoxyethoxy)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

423.14304 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15032 198.2
[M+Na]+ 446.13226 211.1
[M-H]- 422.13576 204.5
[M+NH4]+ 441.17686 211.5
[M+K]+ 462.10620 205.9
[M+H-H2O]+ 406.14030 189.7
[M+HCOO]- 468.14124 221.5
[M+CH3COO]- 482.15689 236.2
[M+Na-2H]- 444.11771 201.1
[M]+ 423.14249 208.6
[M]- 423.14359 208.6
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