CID 6331337

Nsc669734

Structural Information

Molecular Formula
C18H26N2O
SMILES
CN(C)CC1CCC/C(=C/C2=CC=C(C=C2)N(C)C)/C1=O
InChI
InChI=1S/C18H26N2O/c1-19(2)13-16-7-5-6-15(18(16)21)12-14-8-10-17(11-9-14)20(3)4/h8-12,16H,5-7,13H2,1-4H3/b15-12-
InChIKey
MUQYZRDHASIRJD-QINSGFPZSA-N
Compound name
(6Z)-2-[(dimethylamino)methyl]-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 170.4
[M+Na]+ 309.19372 174.2
[M-H]- 285.19722 178.8
[M+NH4]+ 304.23832 186.8
[M+K]+ 325.16766 172.1
[M+H-H2O]+ 269.20176 161.9
[M+HCOO]- 331.20270 192.7
[M+CH3COO]- 345.21835 215.0
[M+Na-2H]- 307.17917 170.5
[M]+ 286.20395 168.8
[M]- 286.20505 168.8
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.