CID 706454

371210-68-3

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CCCN1C2=C(C=C(C1=N)C(=O)NCC)C(=O)N3C=CC=C(C3=N2)C
InChI
InChI=1S/C18H21N5O2/c1-4-8-22-14(19)12(17(24)20-5-2)10-13-16(22)21-15-11(3)7-6-9-23(15)18(13)25/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,20,24)
InChIKey
DRCIAVLYIGHEAD-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-11-methyl-2-oxo-7-propyl-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

339.16953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 180.9
[M+Na]+ 362.15875 195.6
[M+NH4]+ 357.20335 186.5
[M+K]+ 378.13269 188.3
[M-H]- 338.16225 182.9
[M+Na-2H]- 360.14420 185.9
[M]+ 339.16898 183.4
[M]- 339.17008 183.4
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.