CID 4092703

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

Structural Information

Molecular Formula
C18H17N5O
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C#N
InChI
InChI=1S/C18H17N5O/c1-11-5-4-8-22-16(11)21-17-14(18(22)24)9-12(10-19)15(20)23(17)13-6-2-3-7-13/h4-5,8-9,13,20H,2-3,6-7H2,1H3
InChIKey
QURYEZPKKXTDBY-UHFFFAOYSA-N
Compound name
7-cyclopentyl-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

0
References

0
Patents

319.1433 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15058 178.5
[M+Na]+ 342.13252 191.4
[M-H]- 318.13602 181.4
[M+NH4]+ 337.17712 190.6
[M+K]+ 358.10646 181.3
[M+H-H2O]+ 302.14056 161.9
[M+HCOO]- 364.14150 193.6
[M+CH3COO]- 378.15715 187.4
[M+Na-2H]- 340.11797 181.2
[M]+ 319.14275 173.1
[M]- 319.14385 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.