CID 9554397

Nsc 82821

Structural Information

Molecular Formula
C17H27N3
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/N2CCCCCC2
InChI
InChI=1S/C17H27N3/c1-3-19(4-2)17-11-9-16(10-12-17)15-18-20-13-7-5-6-8-14-20/h9-12,15H,3-8,13-14H2,1-2H3/b18-15+
InChIKey
DBJDUPSNGKBPPH-OBGWFSINSA-N
Compound name
4-[(E)-azepan-1-yliminomethyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.2205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.22778 169.3
[M+Na]+ 296.20972 178.1
[M+NH4]+ 291.25432 176.7
[M+K]+ 312.18366 171.6
[M-H]- 272.21322 174.1
[M+Na-2H]- 294.19517 176.2
[M]+ 273.21995 171.8
[M]- 273.22105 171.8
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.