CID 1077491

510762-07-9

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NC3CCCC3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C19H21N5O2/c1-2-23-16(20)13(18(25)21-12-7-3-4-8-12)11-14-17(23)22-15-9-5-6-10-24(15)19(14)26/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,21,25)
InChIKey
ZADHPUQJIOROFM-UHFFFAOYSA-N
Compound name
N-cyclopentyl-7-ethyl-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

351.16953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.176806 181.9
[M+Na]+ 374.158748 190.8
[M-H]- 350.162254 187.2
[M+NH4]+ 369.203353 194.1
[M+K]+ 390.132688 184.2
[M+H-H2O]+ 334.166790 171.7
[M+HCOO]- 396.167731 201.2
[M+CH3COO]- 410.183381 191.7
[M+Na-2H]- 372.144196 186.1
[M]+ 351.16898142 181.8
[M]- 351.17007858 181.8
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.