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]+ 378.228836 192.7
[M+Na]+ 400.210778 198.1
[M-H]- 376.214284 202.4
[M+NH4]+ 395.255383 203.0
[M+K]+ 416.184718 193.5
[M+H-H2O]+ 360.218820 181.4
[M+HCOO]- 422.219761 213.6
[M+CH3COO]- 436.235411 201.9
[M+Na-2H]- 398.196226 195.8
[M]+ 377.22101142 191.6
[M]- 377.22210858 191.6
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.