CID 3151352

488131-28-8

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=CC=C(C3=N2)C
InChI
InChI=1S/C18H19N5O2/c1-4-8-20-17(24)12-10-13-16(22(5-2)14(12)19)21-15-11(3)7-6-9-23(15)18(13)25/h4,6-7,9-10,19H,1,5,8H2,2-3H3,(H,20,24)
InChIKey
JSZWBUBKWOQBIZ-UHFFFAOYSA-N
Compound name
7-ethyl-6-imino-11-methyl-2-oxo-N-prop-2-enyl-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

337.15387 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 179.7
[M+Na]+ 360.14309 194.4
[M+NH4]+ 355.18769 185.0
[M+K]+ 376.11703 187.1
[M-H]- 336.14659 181.5
[M+Na-2H]- 358.12854 184.6
[M]+ 337.15332 182.1
[M]- 337.15442 182.1
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.