CID 3054273

71079-30-6

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=C(ON=C4C)C
InChI
InChI=1S/C22H27N5O/c1-14-13-20(18-11-7-8-12-19(18)23-14)25-22(24-17-9-5-4-6-10-17)26-21-15(2)27-28-16(21)3/h7-8,11-13,17H,4-6,9-10H2,1-3H3,(H2,23,24,25,26)
InChIKey
PDGVLIVEYGYVFM-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.22156 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 194.0
[M+Na]+ 400.21078 206.7
[M+NH4]+ 395.25538 201.3
[M+K]+ 416.18472 200.6
[M-H]- 376.21428 202.6
[M+Na-2H]- 398.19623 201.6
[M]+ 377.22101 198.1
[M]- 377.22211 198.1
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.