CID 1077406

510761-39-4

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C(=O)NC4CCCCC4
InChI
InChI=1S/C22H25N5O2/c1-3-11-26-18(23)16(21(28)24-15-9-5-4-6-10-15)13-17-20(26)25-19-14(2)8-7-12-27(19)22(17)29/h3,7-8,12-13,15,23H,1,4-6,9-11H2,2H3,(H,24,28)
InChIKey
SLAMONBSAAHLEI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-6-imino-11-methyl-2-oxo-7-prop-2-enyl-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

3
References

0
Patents

391.20084 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 194.3
[M+Na]+ 414.19006 208.4
[M+NH4]+ 409.23466 200.0
[M+K]+ 430.16400 200.3
[M-H]- 390.19356 198.2
[M+Na-2H]- 412.17551 199.7
[M]+ 391.20029 197.2
[M]- 391.20139 197.2
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.