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]+ 310.21654 174.6
[M+Na]+ 332.19848 186.3
[M-H]- 308.20198 182.2
[M+NH4]+ 327.24308 190.8
[M+K]+ 348.17242 180.8
[M+H-H2O]+ 292.20652 168.9
[M+HCOO]- 354.20746 194.9
[M+CH3COO]- 368.22311 212.4
[M+Na-2H]- 330.18393 176.6
[M]+ 309.20871 182.8
[M]- 309.20981 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