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]+ 268.18083 161.9
[M+Na]+ 290.16277 167.8
[M-H]- 266.16627 165.5
[M+NH4]+ 285.20737 176.8
[M+K]+ 306.13671 166.9
[M+H-H2O]+ 250.17081 153.9
[M+HCOO]- 312.17175 179.2
[M+CH3COO]- 326.18740 172.1
[M+Na-2H]- 288.14822 168.8
[M]+ 267.17300 158.4
[M]- 267.17410 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.