CID 9843093

Aq-0145

Structural Information

Molecular Formula
C19H28N4
SMILES
C1CN(CCC1C2=CN=CN2)C=NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H28N4/c1-3-23(4-2-17(1)18-11-20-12-21-18)13-22-19-8-14-5-15(9-19)7-16(6-14)10-19/h11-17H,1-10H2,(H,20,21)
InChIKey
NMCYWQDIXKHKEU-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.23138 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23866 165.1
[M+Na]+ 335.22060 164.5
[M-H]- 311.22410 161.1
[M+NH4]+ 330.26520 183.2
[M+K]+ 351.19454 158.7
[M+H-H2O]+ 295.22864 153.0
[M+HCOO]- 357.22958 167.3
[M+CH3COO]- 371.24523 170.3
[M+Na-2H]- 333.20605 171.2
[M]+ 312.23083 159.0
[M]- 312.23193 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.