CID 18506

3176-88-3

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CCCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H17N3O4/c1-2-3-8-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-6-4-5-7-10(9)18(12)25/h4-7H,2-3,8,21-22H2,1H3
InChIKey
UGXWOQHRUHXYIK-UHFFFAOYSA-N
Compound name
4,11-diamino-2-butylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1066
Patents

363.12192 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.129196 184.4
[M+Na]+ 386.111138 199.2
[M-H]- 362.114644 191.3
[M+NH4]+ 381.155743 200.7
[M+K]+ 402.085078 192.6
[M+H-H2O]+ 346.119180 176.9
[M+HCOO]- 408.120121 208.4
[M+CH3COO]- 422.135771 225.7
[M+Na-2H]- 384.096586 187.9
[M]+ 363.12137142 191.6
[M]- 363.12246858 191.6
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