CID 16624

5h-dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-5-(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C18H23N3
SMILES
CN(C)CCCN1C2=CC=CC=C2CNC3=CC=CC=C31
InChI
InChI=1S/C18H23N3/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19-16-9-4-6-11-18(16)21/h3-6,8-11,19H,7,12-14H2,1-2H3
InChIKey
ZUMKGEDSJKWRFD-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.1892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.196476 166.3
[M+Na]+ 304.178418 171.7
[M-H]- 280.181924 169.7
[M+NH4]+ 299.223023 180.7
[M+K]+ 320.152358 170.7
[M+H-H2O]+ 264.186460 158.1
[M+HCOO]- 326.187401 183.3
[M+CH3COO]- 340.203051 176.0
[M+Na-2H]- 302.163866 172.7
[M]+ 281.18865142 163.1
[M]- 281.18974858 163.1
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

patents stripe