CID 36035

32047-63-5

Structural Information

Molecular Formula
C20H27N3
SMILES
CCN(CC)CCCN1C2=CC=CC=C2CNC3=CC=CC=C31
InChI
InChI=1S/C20H27N3/c1-3-22(4-2)14-9-15-23-19-12-7-5-10-17(19)16-21-18-11-6-8-13-20(18)23/h5-8,10-13,21H,3-4,9,14-16H2,1-2H3
InChIKey
NNTDPGZVKDQKLS-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-11-yl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.2205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 175.1
[M+Na]+ 332.20972 179.6
[M-H]- 308.21322 178.1
[M+NH4]+ 327.25432 188.3
[M+K]+ 348.18366 178.2
[M+H-H2O]+ 292.21776 166.4
[M+HCOO]- 354.21870 191.3
[M+CH3COO]- 368.23435 183.9
[M+Na-2H]- 330.19517 180.4
[M]+ 309.21995 172.5
[M]- 309.22105 172.5
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.