CID 5486075

63732-39-8

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CN(C)C(=O)OC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CC=C)C=C1
InChI
InChI=1S/C22H30N2O2/c1-4-12-24-13-11-22-10-6-5-7-18(22)20(24)14-16-8-9-17(15-19(16)22)26-21(25)23(2)3/h4,8-9,15,18,20H,1,5-7,10-14H2,2-3H3/t18-,20+,22+/m0/s1
InChIKey
JCVMDMBGABZKOK-CZTZKLFOSA-N
Compound name
[(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 188.5
[M+Na]+ 377.21996 198.9
[M+NH4]+ 372.26456 198.4
[M+K]+ 393.19390 189.0
[M-H]- 353.22346 192.0
[M+Na-2H]- 375.20541 192.0
[M]+ 354.23019 191.0
[M]- 354.23129 191.0
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.