CID 36044

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

Structural Information

Molecular Formula
C19H25N3
SMILES
CCN(CC)CCN1CC2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C19H25N3/c1-3-21(4-2)13-14-22-15-16-9-5-6-10-17(16)20-18-11-7-8-12-19(18)22/h5-12,20H,3-4,13-15H2,1-2H3
InChIKey
JTBDTHKFBKPXLD-UHFFFAOYSA-N
Compound name
2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.20483 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.212106 170.7
[M+Na]+ 318.194048 175.7
[M-H]- 294.197554 173.9
[M+NH4]+ 313.238653 184.5
[M+K]+ 334.167988 174.4
[M+H-H2O]+ 278.202090 162.3
[M+HCOO]- 340.203031 187.3
[M+CH3COO]- 354.218681 180.0
[M+Na-2H]- 316.179496 176.6
[M]+ 295.20428142 167.8
[M]- 295.20537858 167.8
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.