CID 11956130

Ur-ak57

Structural Information

Molecular Formula
C17H29N5O
SMILES
CC(CC(=O)NC(=NCCCC1=CN=CN1)N)C2CCCCC2
InChI
InChI=1S/C17H29N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)
InChIKey
GVGOZYJHWUIVHV-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

319.2372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.24448 179.1
[M+Na]+ 342.22642 178.4
[M-H]- 318.22992 180.8
[M+NH4]+ 337.27102 190.4
[M+K]+ 358.20036 175.2
[M+H-H2O]+ 302.23446 168.7
[M+HCOO]- 364.23540 196.5
[M+CH3COO]- 378.25105 212.8
[M+Na-2H]- 340.21187 177.5
[M]+ 319.23665 171.6
[M]- 319.23775 171.6
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.