CID 2927721

510733-29-6

Structural Information

Molecular Formula
C23H29N5O3
SMILES
CCOCCCN1C2=C(C=C(C1=N)C(=O)NC3CCCCC3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C23H29N5O3/c1-2-31-14-8-13-28-20(24)17(22(29)25-16-9-4-3-5-10-16)15-18-21(28)26-19-11-6-7-12-27(19)23(18)30/h6-7,11-12,15-16,24H,2-5,8-10,13-14H2,1H3,(H,25,29)
InChIKey
QYLAWPMZSGSOHM-UHFFFAOYSA-N
Compound name
N-cyclohexyl-7-(3-ethoxypropyl)-6-imino-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

5
References

0
Patents

423.22705 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23433 202.2
[M+Na]+ 446.21627 215.1
[M+NH4]+ 441.26087 207.4
[M+K]+ 462.19021 207.3
[M-H]- 422.21977 205.8
[M+Na-2H]- 444.20172 207.3
[M]+ 423.22650 204.8
[M]- 423.22760 204.8
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

No patent data available for this compound.