CID 16730

5h-dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-, maleate

Structural Information

Molecular Formula
C17H21N3
SMILES
CN(C)CCN1CC2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C17H21N3/c1-19(2)11-12-20-13-14-7-3-4-8-15(14)18-16-9-5-6-10-17(16)20/h3-10,18H,11-13H2,1-2H3
InChIKey
AZEHXDVXYMVABV-UHFFFAOYSA-N
Compound name
2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.17355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 161.9
[M+Na]+ 290.162768 167.8
[M-H]- 266.166274 165.5
[M+NH4]+ 285.207373 176.8
[M+K]+ 306.136708 166.9
[M+H-H2O]+ 250.170810 153.9
[M+HCOO]- 312.171751 179.2
[M+CH3COO]- 326.187401 172.1
[M+Na-2H]- 288.148216 168.8
[M]+ 267.17300142 158.4
[M]- 267.17409858 158.4
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.