CID 3151373

1-cyclohexyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C19H19N5O
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)C#N
InChI
InChI=1S/C19H19N5O/c1-12-6-5-9-23-17(12)22-18-15(19(23)25)10-13(11-20)16(21)24(18)14-7-3-2-4-8-14/h5-6,9-10,14,21H,2-4,7-8H2,1H3
InChIKey
YFISCVIGPMJDRD-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

333.15897 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 185.8
[M+Na]+ 356.14819 201.0
[M+NH4]+ 351.19279 189.8
[M+K]+ 372.12213 189.0
[M-H]- 332.15169 182.8
[M+Na-2H]- 354.13364 189.4
[M]+ 333.15842 186.4
[M]- 333.15952 186.4
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.