CID 50995

Mj 1997-1

Structural Information

Molecular Formula
C21H23N
SMILES
CN1CCC(C1)C=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C21H23N/c1-22-13-12-16(15-22)14-21-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)21/h2-9,14,16H,10-13,15H2,1H3
InChIKey
XGTMDFMSBGZUBR-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.18304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19032 171.6
[M+Na]+ 312.17226 177.2
[M-H]- 288.17576 179.1
[M+NH4]+ 307.21686 188.6
[M+K]+ 328.14620 173.2
[M+H-H2O]+ 272.18030 164.7
[M+HCOO]- 334.18124 188.2
[M+CH3COO]- 348.19689 181.7
[M+Na-2H]- 310.15771 173.1
[M]+ 289.18249 165.0
[M]- 289.18359 165.0
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.