CID 1319945

Mls001034912

Structural Information

Molecular Formula
C26H27N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)C(=O)NC5CCCCC5
InChI
InChI=1S/C26H27N5O2/c1-17-9-8-14-30-23(17)29-24-21(26(30)33)15-20(25(32)28-19-12-6-3-7-13-19)22(27)31(24)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19,27H,3,6-7,12-13,16H2,1H3,(H,28,32)
InChIKey
BBYOEVLEAANMRY-UHFFFAOYSA-N
Compound name
7-benzyl-N-cyclohexyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

441.21646 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.22374 208.0
[M+Na]+ 464.20568 224.0
[M+NH4]+ 459.25028 214.4
[M+K]+ 480.17962 214.7
[M-H]- 440.20918 214.9
[M+Na-2H]- 462.19113 216.4
[M]+ 441.21591 212.2
[M]- 441.21701 212.2
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

No patent data available for this compound.