CID 45439

63918-63-8

Structural Information

Molecular Formula
C19H25N3
SMILES
CCN(CC)CCN1C2=CC=CC=C2CNC3=CC=CC=C31
InChI
InChI=1S/C19H25N3/c1-3-21(4-2)13-14-22-18-11-7-5-9-16(18)15-20-17-10-6-8-12-19(17)22/h5-12,20H,3-4,13-15H2,1-2H3
InChIKey
NBCLKMSYLLWGFG-UHFFFAOYSA-N
Compound name
2-(5,6-dihydrobenzo[b][1,4]benzodiazepin-11-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]+ 296.21211 170.7
[M+Na]+ 318.19405 175.7
[M-H]- 294.19755 173.9
[M+NH4]+ 313.23865 184.5
[M+K]+ 334.16799 174.4
[M+H-H2O]+ 278.20209 162.3
[M+HCOO]- 340.20303 187.3
[M+CH3COO]- 354.21868 180.0
[M+Na-2H]- 316.17950 176.6
[M]+ 295.20428 167.8
[M]- 295.20538 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.