CID 3151320

510761-14-5

Structural Information

Molecular Formula
C23H27N5O3
SMILES
C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5CCCO5
InChI
InChI=1S/C23H27N5O3/c24-20-17(22(29)25-15-7-2-1-3-8-15)13-18-21(28(20)14-16-9-6-12-31-16)26-19-10-4-5-11-27(19)23(18)30/h4-5,10-11,13,15-16,24H,1-3,6-9,12,14H2,(H,25,29)
InChIKey
LAVWELHESAWYDA-UHFFFAOYSA-N
Compound name
N-cyclohexyl-6-imino-2-oxo-7-(oxolan-2-ylmethyl)-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

8
References

0
Patents

421.2114 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.21868 200.3
[M+Na]+ 444.20062 212.8
[M+NH4]+ 439.24522 206.2
[M+K]+ 460.17456 207.8
[M-H]- 420.20412 206.8
[M+Na-2H]- 442.18607 205.2
[M]+ 421.21085 203.6
[M]- 421.21195 203.6
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.