CID 10130594

428868-32-0

Structural Information

Molecular Formula
C14H18N2
SMILES
C1C[C@H]2[C@@H](C1)N3CCNCC4=C3C2=CC=C4
InChI
InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1
InChIKey
XOSKJKGKWRIMGV-DGCLKSJQSA-N
Compound name
(11R,15R)-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

514
Patents

214.147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 149.8
[M+Na]+ 237.136218 155.9
[M-H]- 213.139724 152.6
[M+NH4]+ 232.180823 170.7
[M+K]+ 253.110158 152.3
[M+H-H2O]+ 197.144260 143.4
[M+HCOO]- 259.145201 163.9
[M+CH3COO]- 273.160851 160.4
[M+Na-2H]- 235.121666 152.4
[M]+ 214.14645142 142.8
[M]- 214.14754858 142.8
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