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]+ 354.192456 186.9
[M+Na]+ 376.174398 197.4
[M-H]- 352.177904 189.5
[M+NH4]+ 371.219003 198.1
[M+K]+ 392.148338 191.4
[M+H-H2O]+ 336.182440 177.2
[M+HCOO]- 398.183381 205.8
[M+CH3COO]- 412.199031 224.9
[M+Na-2H]- 374.159846 191.6
[M]+ 353.18463142 191.1
[M]- 353.18572858 191.1
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.