CID 3047746

Mezepine

Structural Information

Molecular Formula
C18H22N2
SMILES
CNCCCN1CC2=CC=CC=C2CC3=CC=CC=C31
InChI
InChI=1S/C18H22N2/c1-19-11-6-12-20-14-17-9-3-2-7-15(17)13-16-8-4-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
InChIKey
UVWYAZFZHPZJOT-UHFFFAOYSA-N
Compound name
3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

266.17828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.185556 161.8
[M+Na]+ 289.167498 167.3
[M-H]- 265.171004 166.4
[M+NH4]+ 284.212103 178.1
[M+K]+ 305.141438 165.9
[M+H-H2O]+ 249.175540 155.0
[M+HCOO]- 311.176481 180.9
[M+CH3COO]- 325.192131 172.3
[M+Na-2H]- 287.152946 169.1
[M]+ 266.17773142 158.6
[M]- 266.17882858 158.6
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