CID 10670478

23536-15-4

Structural Information

Molecular Formula
C26H30N2O4
SMILES
CCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCCCC)C1=O
InChI
InChI=1S/C26H30N2O4/c1-3-5-7-9-15-27-23(29)17-11-13-19-22-20(14-12-18(21(17)22)24(27)30)26(32)28(25(19)31)16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKey
QGDZMDFMUJURJD-UHFFFAOYSA-N
Compound name
6,13-dihexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

434.22055 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22783 211.2
[M+Na]+ 457.20977 217.8
[M-H]- 433.21327 211.7
[M+NH4]+ 452.25437 221.7
[M+K]+ 473.18371 211.1
[M+H-H2O]+ 417.21781 200.4
[M+HCOO]- 479.21875 221.3
[M+CH3COO]- 493.23440 239.2
[M+Na-2H]- 455.19522 210.6
[M]+ 434.22000 217.3
[M]- 434.22110 217.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe