CID 44149742

1h-naphth(2,3-f)isoindole-1,3,5,10(2h)-tetrone, 4,11-diamino-2-propyl-

Structural Information

Molecular Formula
C19H15N3O4
SMILES
CCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C19H15N3O4/c1-2-7-22-18(25)12-13(19(22)26)15(21)11-10(14(12)20)16(23)8-5-3-4-6-9(8)17(11)24/h3-6H,2,7,20-21H2,1H3
InChIKey
RCUGVTLJQBBZOL-UHFFFAOYSA-N
Compound name
4,11-diamino-2-propylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.10626 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11354 179.8
[M+Na]+ 372.09548 195.1
[M-H]- 348.09898 186.9
[M+NH4]+ 367.14008 196.7
[M+K]+ 388.06942 188.6
[M+H-H2O]+ 332.10352 172.4
[M+HCOO]- 394.10446 204.1
[M+CH3COO]- 408.12011 192.8
[M+Na-2H]- 370.08093 183.8
[M]+ 349.10571 186.7
[M]- 349.10681 186.7
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

No patent data available for this compound.