CID 361905

Nsc625317

Structural Information

Molecular Formula
C16H18N2
SMILES
CC1=CC2=C(C=C1)NCC3=C(C=CC(=C3)C)NC2
InChI
InChI=1S/C16H18N2/c1-11-3-5-15-13(7-11)9-17-16-6-4-12(2)8-14(16)10-18-15/h3-8,17-18H,9-10H2,1-2H3
InChIKey
FIYXWLXBQFGGSN-UHFFFAOYSA-N
Compound name
2,8-dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 158.5
[M+Na]+ 261.13622 163.8
[M-H]- 237.13972 158.7
[M+NH4]+ 256.18082 165.8
[M+K]+ 277.11016 161.6
[M+H-H2O]+ 221.14426 154.0
[M+HCOO]- 283.14520 164.9
[M+CH3COO]- 297.16085 162.4
[M+Na-2H]- 259.12167 159.2
[M]+ 238.14645 156.4
[M]- 238.14755 156.4
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.