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 182.6
[M+Na]+ 356.14819 194.2
[M-H]- 332.15169 184.6
[M+NH4]+ 351.19279 192.2
[M+K]+ 372.12213 184.0
[M+H-H2O]+ 316.15623 165.2
[M+HCOO]- 378.15717 195.2
[M+CH3COO]- 392.17282 190.2
[M+Na-2H]- 354.13364 186.6
[M]+ 333.15842 175.2
[M]- 333.15952 175.2
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.