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]+ 352.17681 181.9
[M+Na]+ 374.15875 190.8
[M-H]- 350.16225 187.2
[M+NH4]+ 369.20335 194.1
[M+K]+ 390.13269 184.2
[M+H-H2O]+ 334.16679 171.7
[M+HCOO]- 396.16773 201.2
[M+CH3COO]- 410.18338 191.7
[M+Na-2H]- 372.14420 186.1
[M]+ 351.16898 181.8
[M]- 351.17008 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.