CID 1077434

510761-58-7

Structural Information

Molecular Formula
C25H26N6O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NC5CCCCC5
InChI
InChI=1S/C25H26N6O2/c1-16-7-6-12-30-22(16)29-23-20(25(30)33)13-19(24(32)28-18-9-3-2-4-10-18)21(26)31(23)15-17-8-5-11-27-14-17/h5-8,11-14,18,26H,2-4,9-10,15H2,1H3,(H,28,32)
InChIKey
FZIDTGFRCBCPGX-UHFFFAOYSA-N
Compound name
N-cyclohexyl-6-imino-11-methyl-2-oxo-7-(pyridin-3-ylmethyl)-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

442.21173 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21901 207.4
[M+Na]+ 465.20095 223.4
[M+NH4]+ 460.24555 213.1
[M+K]+ 481.17489 214.6
[M-H]- 441.20445 213.5
[M+Na-2H]- 463.18640 215.6
[M]+ 442.21118 211.3
[M]- 442.21228 211.3
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.