CID 3062758

98836-66-9

Structural Information

Molecular Formula
C18H27N3
SMILES
CCCCCC(CN(C)C)(C1=CC=CC=C1)N2C=CN=C2
InChI
InChI=1S/C18H27N3/c1-4-5-9-12-18(15-20(2)3,21-14-13-19-16-21)17-10-7-6-8-11-17/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3
InChIKey
QVKZOWQSPXTBLS-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-N,N-dimethyl-2-phenylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22778 172.5
[M+Na]+ 308.20972 176.9
[M-H]- 284.21322 176.9
[M+NH4]+ 303.25432 187.3
[M+K]+ 324.18366 173.7
[M+H-H2O]+ 268.21776 162.7
[M+HCOO]- 330.21870 193.6
[M+CH3COO]- 344.23435 207.9
[M+Na-2H]- 306.19517 176.3
[M]+ 285.21995 174.8
[M]- 285.22105 174.8
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.