CID 65700

Metapramine

Structural Information

Molecular Formula
C16H18N2
SMILES
CNC1CC2=CC=CC=C2N(C3=CC=CC=C13)C
InChI
InChI=1S/C16H18N2/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16/h3-10,14,17H,11H2,1-2H3
InChIKey
YXVZOBVWVRFPTE-UHFFFAOYSA-N
Compound name
N,11-dimethyl-5,6-dihydrobenzo[b][1]benzazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

3756
Patents

238.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 153.2
[M+Na]+ 261.13622 160.5
[M-H]- 237.13972 158.7
[M+NH4]+ 256.18082 171.0
[M+K]+ 277.11016 159.7
[M+H-H2O]+ 221.14426 147.1
[M+HCOO]- 283.14520 173.0
[M+CH3COO]- 297.16085 165.0
[M+Na-2H]- 259.12167 161.0
[M]+ 238.14645 149.9
[M]- 238.14755 149.9
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