CID 365172

Nsc632382

Structural Information

Molecular Formula
C19H26N2
SMILES
CN(C)C1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H26N2/c1-21(2)18-5-3-14(4-6-18)13-20-19-10-15-7-16(11-19)9-17(8-15)12-19/h3-6,13,15-17H,7-12H2,1-2H3
InChIKey
PXSHBCNEBGRJPO-UHFFFAOYSA-N
Compound name
4-(1-adamantyliminomethyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 164.6
[M+Na]+ 305.19882 165.1
[M-H]- 281.20232 164.7
[M+NH4]+ 300.24342 187.6
[M+K]+ 321.17276 161.6
[M+H-H2O]+ 265.20686 155.2
[M+HCOO]- 327.20780 175.0
[M+CH3COO]- 341.22345 172.6
[M+Na-2H]- 303.18427 174.4
[M]+ 282.20905 164.5
[M]- 282.21015 164.5
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.