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 166.0
[M+Na]+ 296.20972 167.0
[M-H]- 272.21322 173.2
[M+NH4]+ 291.25432 180.1
[M+K]+ 312.18366 169.2
[M+H-H2O]+ 256.21776 156.6
[M+HCOO]- 318.21870 187.1
[M+CH3COO]- 332.23435 210.2
[M+Na-2H]- 294.19517 168.9
[M]+ 273.21995 160.7
[M]- 273.22105 160.7
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.