CID 3151503

510733-37-6

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CCC(C)N1C2=C(C=C(C1=N)C(=O)NCC)C(=O)N3C=CC=C(C3=N2)C
InChI
InChI=1S/C19H23N5O2/c1-5-12(4)24-15(20)13(18(25)21-6-2)10-14-17(24)22-16-11(3)8-7-9-23(16)19(14)26/h7-10,12,20H,5-6H2,1-4H3,(H,21,25)
InChIKey
MFGNACJBQKZHGH-UHFFFAOYSA-N
Compound name
7-butan-2-yl-N-ethyl-6-imino-11-methyl-2-oxo-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

353.18518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 184.9
[M+Na]+ 376.17440 199.0
[M+NH4]+ 371.21900 190.2
[M+K]+ 392.14834 192.3
[M-H]- 352.17790 186.7
[M+Na-2H]- 374.15985 189.3
[M]+ 353.18463 187.2
[M]- 353.18573 187.2
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.