CID 3039379

(+-)-10,11-dihydro-12-methyl-5h-dibenzo(a,d)cyclohepten-5,10-imine

Structural Information

Molecular Formula
C16H15N
SMILES
CN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C16H15N/c1-17-15-10-11-6-2-3-7-12(11)16(17)14-9-5-4-8-13(14)15/h2-9,15-16H,10H2,1H3
InChIKey
PFFGUTFSPWUIOT-UHFFFAOYSA-N
Compound name
16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

221.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 148.7
[M+Na]+ 244.10967 158.2
[M-H]- 220.11317 152.4
[M+NH4]+ 239.15427 171.5
[M+K]+ 260.08361 152.3
[M+H-H2O]+ 204.11771 141.7
[M+HCOO]- 266.11865 166.7
[M+CH3COO]- 280.13430 161.4
[M+Na-2H]- 242.09512 155.9
[M]+ 221.11990 148.6
[M]- 221.12100 148.6
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