CID 364594

Nsc631084

Structural Information

Molecular Formula
C18H23N
SMILES
CC1=CC(=CC=C1)C=NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H23N/c1-13-3-2-4-14(5-13)12-19-18-9-15-6-16(10-18)8-17(7-15)11-18/h2-5,12,15-17H,6-11H2,1H3
InChIKey
HLGVZVNEMYYNSJ-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(3-methylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.18304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.19032 157.7
[M+Na]+ 276.17226 159.6
[M-H]- 252.17576 157.2
[M+NH4]+ 271.21686 181.7
[M+K]+ 292.14620 154.7
[M+H-H2O]+ 236.18030 148.7
[M+HCOO]- 298.18124 167.2
[M+CH3COO]- 312.19689 166.2
[M+Na-2H]- 274.15771 168.1
[M]+ 253.18249 156.8
[M]- 253.18359 156.8
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.