CID 118778

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

Structural Information

Molecular Formula
C24H25N3O4
SMILES
CCCCCCCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C24H25N3O4/c1-2-3-4-5-6-9-12-27-23(30)17-18(24(27)31)20(26)16-15(19(17)25)21(28)13-10-7-8-11-14(13)22(16)29/h7-8,10-11H,2-6,9,12,25-26H2,1H3
InChIKey
PIMCCBPBDJBTCL-UHFFFAOYSA-N
Compound name
4,11-diamino-2-octylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

419.1845 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19178 202.8
[M+Na]+ 442.17372 215.6
[M-H]- 418.17722 208.8
[M+NH4]+ 437.21832 216.7
[M+K]+ 458.14766 208.2
[M+H-H2O]+ 402.18176 194.3
[M+HCOO]- 464.18270 225.2
[M+CH3COO]- 478.19835 237.3
[M+Na-2H]- 440.15917 204.1
[M]+ 419.18395 211.1
[M]- 419.18505 211.1
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