CID 121702

30415-45-3

Structural Information

Molecular Formula
C22H22N4O4
SMILES
CCCCOCCN1C(=N)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H22N4O4/c1-2-3-9-30-10-8-26-21(25)15-16(22(26)29)18(24)14-13(17(15)23)19(27)11-6-4-5-7-12(11)20(14)28/h4-7,25H,2-3,8-10,23-24H2,1H3
InChIKey
UECNRPKDQBDEFZ-UHFFFAOYSA-N
Compound name
4,11-diamino-2-(2-butoxyethyl)-1-iminonaphtho[2,3-f]isoindole-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.1641 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 197.4
[M+Na]+ 429.15332 211.0
[M+NH4]+ 424.19792 202.9
[M+K]+ 445.12726 205.5
[M-H]- 405.15682 200.6
[M+Na-2H]- 427.13877 200.0
[M]+ 406.16355 200.0
[M]- 406.16465 200.0
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.