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 150.3
[M+Na]+ 256.10967 164.7
[M+NH4]+ 251.15427 161.0
[M+K]+ 272.08361 156.4
[M-H]- 232.11317 154.8
[M+Na-2H]- 254.09512 157.8
[M]+ 233.11990 154.0
[M]- 233.12100 154.0
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