CID 31948

12h-dibenzo(a,d)cyclooctene-12-propylamine, 5,6,7-trihydro-beta,n,n-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C22H29N
SMILES
CC(CC1C2=CC=CC=C2CCCC3=CC=CC=C13)CN(C)C
InChI
InChI=1S/C22H29N/c1-17(16-23(2)3)15-22-20-13-6-4-9-18(20)11-8-12-19-10-5-7-14-21(19)22/h4-7,9-10,13-14,17,22H,8,11-12,15-16H2,1-3H3
InChIKey
NIMJBCOPUNJMSI-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.23728 172.5
[M+Na]+ 330.21922 176.0
[M-H]- 306.22272 175.0
[M+NH4]+ 325.26382 180.2
[M+K]+ 346.19316 174.9
[M+H-H2O]+ 290.22726 167.6
[M+HCOO]- 352.22820 180.4
[M+CH3COO]- 366.24385 176.0
[M+Na-2H]- 328.20467 171.2
[M]+ 307.22945 172.0
[M]- 307.23055 172.0
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.