CID 1051384

607385-74-0

Structural Information

Molecular Formula
C22H27N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NC4CCCCC4
InChI
InChI=1S/C22H27N5O2/c1-13(2)27-18(23)16(21(28)24-15-9-5-4-6-10-15)12-17-20(27)25-19-14(3)8-7-11-26(19)22(17)29/h7-8,11-13,15,23H,4-6,9-10H2,1-3H3,(H,24,28)
InChIKey
WJCQPWRDMIXGAC-UHFFFAOYSA-N
Compound name
N-cyclohexyl-6-imino-11-methyl-2-oxo-7-propan-2-yl-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

393.21646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22374 194.7
[M+Na]+ 416.20568 208.4
[M+NH4]+ 411.25028 200.6
[M+K]+ 432.17962 201.3
[M-H]- 392.20918 198.8
[M+Na-2H]- 414.19113 200.0
[M]+ 393.21591 197.6
[M]- 393.21701 197.6
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.