CID 90464180

1445578-20-0

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCC=C)C
InChI
InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3
InChIKey
NXTLUQFOTQPMOD-UHFFFAOYSA-N
Compound name
(1-pent-4-enylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 174.6
[M+Na]+ 332.198478 186.3
[M-H]- 308.201984 182.2
[M+NH4]+ 327.243083 190.8
[M+K]+ 348.172418 180.8
[M+H-H2O]+ 292.206520 168.9
[M+HCOO]- 354.207461 194.9
[M+CH3COO]- 368.223111 212.4
[M+Na-2H]- 330.183926 176.6
[M]+ 309.20871142 182.8
[M]- 309.20980858 182.8
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