CID 57376953

30235-48-4

Structural Information

Molecular Formula
C20H21NO
SMILES
CN(C)CCC=C1C2=CC=CC=C2C=CC3=C1C=C(C=C3)O
InChI
InChI=1S/C20H21NO/c1-21(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(22)14-20(16)19/h3-4,6-12,14,22H,5,13H2,1-2H3
InChIKey
UHLPYBQGKLHIFK-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.16232 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 168.0
[M+Na]+ 314.15154 174.4
[M-H]- 290.15504 174.6
[M+NH4]+ 309.19614 184.9
[M+K]+ 330.12548 173.6
[M+H-H2O]+ 274.15958 162.9
[M+HCOO]- 336.16052 188.5
[M+CH3COO]- 350.17617 179.2
[M+Na-2H]- 312.13699 173.4
[M]+ 291.16177 166.8
[M]- 291.16287 166.8
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

patents stripe