CID 3085328

Einecs 265-827-3

Structural Information

Molecular Formula
C19H21N
SMILES
CN1CC[C@H]2[C@H](C1)C3=CC=CC=C3CC4=CC=CC=C24
InChI
InChI=1S/C19H21N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9,18-19H,10-13H2,1H3/t18-,19-/m1/s1
InChIKey
PCKRALVYSUGNGV-RTBURBONSA-N
Compound name
(2S,7S)-4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.174676 160.4
[M+Na]+ 286.156618 166.8
[M-H]- 262.160124 165.8
[M+NH4]+ 281.201223 178.0
[M+K]+ 302.130558 163.9
[M+H-H2O]+ 246.164660 154.1
[M+HCOO]- 308.165601 175.2
[M+CH3COO]- 322.181251 170.9
[M+Na-2H]- 284.142066 166.8
[M]+ 263.16685142 154.5
[M]- 263.16794858 154.5
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