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 192.7
[M+Na]+ 400.21078 198.1
[M-H]- 376.21428 202.4
[M+NH4]+ 395.25538 203.0
[M+K]+ 416.18472 193.5
[M+H-H2O]+ 360.21882 181.4
[M+HCOO]- 422.21976 213.6
[M+CH3COO]- 436.23541 201.9
[M+Na-2H]- 398.19623 195.8
[M]+ 377.22101 191.6
[M]- 377.22211 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.