CID 17839

6-(dimethylamino)-5h-dibenzo(d,f)(1,3)diazepine hydrochloride

Structural Information

Molecular Formula
C15H15N3
SMILES
CN(C)C1=NC2=CC=CC=C2C3=CC=CC=C3N1
InChI
InChI=1S/C15H15N3/c1-18(2)15-16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)17-15/h3-10H,1-2H3,(H,16,17)
InChIKey
ICQUKZFRUUFOJV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-7H-benzo[d][1,3]benzodiazepin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1266 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 152.5
[M+Na]+ 260.11582 160.3
[M-H]- 236.11932 156.9
[M+NH4]+ 255.16042 168.8
[M+K]+ 276.08976 159.9
[M+H-H2O]+ 220.12386 145.1
[M+HCOO]- 282.12480 171.8
[M+CH3COO]- 296.14045 164.1
[M+Na-2H]- 258.10127 161.4
[M]+ 237.12605 149.7
[M]- 237.12715 149.7
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.