CID 5361174

53758-08-0

Structural Information

Molecular Formula
C18H23N
SMILES
C1CC1CN2C3CCC2[C@H]4CC5=CC=CC=C5[C@H]4C3
InChI
InChI=1S/C18H23N/c1-2-4-15-13(3-1)9-17-16(15)10-14-7-8-18(17)19(14)11-12-5-6-12/h1-4,12,14,16-18H,5-11H2/t14?,16-,17+,18?/m1/s1
InChIKey
VOTIBOHGHDUDJV-MKFDVMFOSA-N
Compound name
(2S,10S)-15-(cyclopropylmethyl)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.190316 161.1
[M+Na]+ 276.172258 169.5
[M-H]- 252.175764 167.1
[M+NH4]+ 271.216863 178.8
[M+K]+ 292.146198 162.7
[M+H-H2O]+ 236.180300 154.4
[M+HCOO]- 298.181241 175.9
[M+CH3COO]- 312.196891 171.8
[M+Na-2H]- 274.157706 162.1
[M]+ 253.18249142 160.4
[M]- 253.18358858 160.4
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.