CID 202158

Brn 0747770

Structural Information

Molecular Formula
C17H15N
SMILES
C1CC2=CC=CC=C2C3CN=CC4=CC=CC1=C34
InChI
InChI=1S/C17H15N/c1-2-7-15-12(4-1)8-9-13-5-3-6-14-10-18-11-16(15)17(13)14/h1-7,10,16H,8-9,11H2
InChIKey
DRBGWXWNTQCBGB-UHFFFAOYSA-N
Compound name
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13,15-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12773 151.6
[M+Na]+ 256.10967 159.1
[M-H]- 232.11317 156.9
[M+NH4]+ 251.15427 170.5
[M+K]+ 272.08361 156.5
[M+H-H2O]+ 216.11771 145.8
[M+HCOO]- 278.11865 168.7
[M+CH3COO]- 292.13430 163.2
[M+Na-2H]- 254.09512 161.2
[M]+ 233.11990 147.9
[M]- 233.12100 147.9
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