CID 213985

27448-06-2

Structural Information

Molecular Formula
C20H23NO
SMILES
CN(C)CC(C=C1C2=CC=CC=C2CCC3=CC=CC=C31)O
InChI
InChI=1S/C20H23NO/c1-21(2)14-17(22)13-20-18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-10,13,17,22H,11-12,14H2,1-2H3
InChIKey
KHNIZSNZJIDTCB-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 168.2
[M+Na]+ 316.16720 172.4
[M-H]- 292.17070 174.1
[M+NH4]+ 311.21180 184.5
[M+K]+ 332.14114 172.1
[M+H-H2O]+ 276.17524 163.0
[M+HCOO]- 338.17618 186.4
[M+CH3COO]- 352.19183 178.4
[M+Na-2H]- 314.15265 172.3
[M]+ 293.17743 164.7
[M]- 293.17853 164.7
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

patents stripe