CID 1077492

510762-09-1

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NC3CCCC3)C(=O)N4C=CC=C(C4=N2)C
InChI
InChI=1S/C20H23N5O2/c1-3-24-16(21)14(19(26)22-13-8-4-5-9-13)11-15-18(24)23-17-12(2)7-6-10-25(17)20(15)27/h6-7,10-11,13,21H,3-5,8-9H2,1-2H3,(H,22,26)
InChIKey
CTNYJRWDBSJQAN-UHFFFAOYSA-N
Compound name
N-cyclopentyl-7-ethyl-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

0
References

0
Patents

365.18518 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 186.8
[M+Na]+ 388.17440 200.2
[M+NH4]+ 383.21900 192.9
[M+K]+ 404.14834 195.0
[M-H]- 364.17790 190.4
[M+Na-2H]- 386.15985 191.9
[M]+ 365.18463 189.5
[M]- 365.18573 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.