CID 3151497

609794-54-9

Structural Information

Molecular Formula
C17H17N5O
SMILES
CCC(C)N1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=C(C3=N2)C
InChI
InChI=1S/C17H17N5O/c1-4-11(3)22-14(19)12(9-18)8-13-16(22)20-15-10(2)6-5-7-21(15)17(13)23/h5-8,11,19H,4H2,1-3H3
InChIKey
DAHGMKXJUHOBPI-UHFFFAOYSA-N
Compound name
7-butan-2-yl-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

8
References

0
Patents

307.1433 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 176.1
[M+Na]+ 330.13252 191.2
[M+NH4]+ 325.17712 179.4
[M+K]+ 346.10646 180.4
[M-H]- 306.13602 170.9
[M+Na-2H]- 328.11797 178.9
[M]+ 307.14275 176.0
[M]- 307.14385 176.0
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.