CID 4210039

Ndichex

Structural Information

Molecular Formula
C26H26N2O4
SMILES
C1CCC(CC1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6CCCCC6)C2=O
InChI
InChI=1S/C26H26N2O4/c29-23-17-11-13-19-22-20(26(32)28(25(19)31)16-9-5-2-6-10-16)14-12-18(21(17)22)24(30)27(23)15-7-3-1-4-8-15/h11-16H,1-10H2
InChIKey
XWDVNWORIROXKG-UHFFFAOYSA-N
Compound name
6,13-dicyclohexyl-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

75
Patents

430.18927 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19655 204.7
[M+Na]+ 453.17849 207.6
[M-H]- 429.18199 209.9
[M+NH4]+ 448.22309 213.3
[M+K]+ 469.15243 201.0
[M+H-H2O]+ 413.18653 191.0
[M+HCOO]- 475.18747 208.6
[M+CH3COO]- 489.20312 209.7
[M+Na-2H]- 451.16394 202.4
[M]+ 430.18872 196.8
[M]- 430.18982 196.8
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