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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.