CID 167857

Carazedine

Structural Information

Molecular Formula
C14H20N2
SMILES
CC1=CC2=C(C=C1)NC3C2CCN(CC3)C
InChI
InChI=1S/C14H20N2/c1-10-3-4-13-12(9-10)11-5-7-16(2)8-6-14(11)15-13/h3-4,9,11,14-15H,5-8H2,1-2H3
InChIKey
XEVOIJIPEYPLDG-UHFFFAOYSA-N
Compound name
3,9-dimethyl-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

216.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 149.8
[M+Na]+ 239.15186 156.2
[M-H]- 215.15536 152.2
[M+NH4]+ 234.19646 168.2
[M+K]+ 255.12580 154.2
[M+H-H2O]+ 199.15990 143.0
[M+HCOO]- 261.16084 164.5
[M+CH3COO]- 275.17649 160.5
[M+Na-2H]- 237.13731 152.7
[M]+ 216.16209 143.0
[M]- 216.16319 143.0
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