CID 105637

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

Structural Information

Molecular Formula
C22H21N3O5
SMILES
CCCCOCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H21N3O5/c1-2-3-9-30-10-8-25-21(28)15-16(22(25)29)18(24)14-13(17(15)23)19(26)11-6-4-5-7-12(11)20(14)27/h4-7H,2-3,8-10,23-24H2,1H3
InChIKey
ADXXWIFEYDWGJF-UHFFFAOYSA-N
Compound name
4,11-diamino-2-(2-butoxyethyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.14813 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15541 196.0
[M+Na]+ 430.13735 209.4
[M-H]- 406.14085 202.4
[M+NH4]+ 425.18195 210.3
[M+K]+ 446.11129 203.3
[M+H-H2O]+ 390.14539 187.8
[M+HCOO]- 452.14633 219.3
[M+CH3COO]- 466.16198 233.8
[M+Na-2H]- 428.12280 198.7
[M]+ 407.14758 205.1
[M]- 407.14868 205.1
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

No patent data available for this compound.