CID 1077522

618078-01-6

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)C4CCCCC4
InChI
InChI=1S/C19H21N5O2/c1-21-18(25)13-11-14-17(22-15-9-5-6-10-23(15)19(14)26)24(16(13)20)12-7-3-2-4-8-12/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,21,25)
InChIKey
FXXMTGPLXDGKTR-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-imino-N-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

0
References

0
Patents

351.16953 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 182.4
[M+Na]+ 374.15875 190.5
[M-H]- 350.16225 186.8
[M+NH4]+ 369.20335 192.5
[M+K]+ 390.13269 183.8
[M+H-H2O]+ 334.16679 171.2
[M+HCOO]- 396.16773 199.2
[M+CH3COO]- 410.18338 191.3
[M+Na-2H]- 372.14420 188.6
[M]+ 351.16898 179.9
[M]- 351.17008 179.9
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.