CID 3151422

510762-54-6

Structural Information

Molecular Formula
C20H23N5O3
SMILES
COCCN1C2=C(C=C(C1=N)C(=O)NC3CCCC3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C20H23N5O3/c1-28-11-10-25-17(21)14(19(26)22-13-6-2-3-7-13)12-15-18(25)23-16-8-4-5-9-24(16)20(15)27/h4-5,8-9,12-13,21H,2-3,6-7,10-11H2,1H3,(H,22,26)
InChIKey
RWRROPCQOYRKGR-UHFFFAOYSA-N
Compound name
N-cyclopentyl-6-imino-7-(2-methoxyethyl)-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

2
References

0
Patents

381.18008 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 189.2
[M+Na]+ 404.16930 201.7
[M+NH4]+ 399.21390 194.7
[M+K]+ 420.14324 196.9
[M-H]- 380.17280 192.3
[M+Na-2H]- 402.15475 194.2
[M]+ 381.17953 191.5
[M]- 381.18063 191.5
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.