CID 9859407

Sdz ser-082

Structural Information

Molecular Formula
C15H20N2
SMILES
CN1CC[C@@H]2CN3CCC4=C3C(=CC=C4)[C@@H]2C1
InChI
InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
InChIKey
YASBOGFWAMXINH-TZMCWYRMSA-N
Compound name
(2R,7S)-4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),12(16),13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

43
Patents

228.16264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 153.7
[M+Na]+ 251.15186 160.1
[M-H]- 227.15536 155.4
[M+NH4]+ 246.19646 174.1
[M+K]+ 267.12580 155.1
[M+H-H2O]+ 211.15990 145.3
[M+HCOO]- 273.16084 166.5
[M+CH3COO]- 287.17649 164.3
[M+Na-2H]- 249.13731 157.6
[M]+ 228.16209 149.3
[M]- 228.16319 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe