CID 64393

57568-80-6

Structural Information

Molecular Formula
C21H35N3O
SMILES
C1CCC(CC1)N=C(NC23CC4CC(C2)CC(C4)C3)N5CCOCC5
InChI
InChI=1S/C21H35N3O/c1-2-4-19(5-3-1)22-20(24-6-8-25-9-7-24)23-21-13-16-10-17(14-21)12-18(11-16)15-21/h16-19H,1-15H2,(H,22,23)
InChIKey
GKCGWXNLOYTUNC-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-N'-cyclohexylmorpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

76
References

61
Patents

345.278 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.285276 169.5
[M+Na]+ 368.267218 163.5
[M-H]- 344.270724 167.5
[M+NH4]+ 363.311823 185.2
[M+K]+ 384.241158 160.9
[M+H-H2O]+ 328.275260 157.3
[M+HCOO]- 390.276201 168.8
[M+CH3COO]- 404.291851 173.0
[M+Na-2H]- 366.252666 176.0
[M]+ 345.27745142 159.5
[M]- 345.27854858 159.5
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

patents stripe