CID 3042943

Brn 0693451

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCN(CC)CCC1(C(=O)NC2=CC=CC=C2NC1=O)CC=C
InChI
InChI=1S/C18H25N3O2/c1-4-11-18(12-13-21(5-2)6-3)16(22)19-14-9-7-8-10-15(14)20-17(18)23/h4,7-10H,1,5-6,11-13H2,2-3H3,(H,19,22)(H,20,23)
InChIKey
PWPWHILEHOYGNT-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 172.7
[M+Na]+ 338.18389 180.7
[M+NH4]+ 333.22849 178.6
[M+K]+ 354.15783 174.4
[M-H]- 314.18739 172.5
[M+Na-2H]- 336.16934 176.3
[M]+ 315.19412 173.6
[M]- 315.19522 173.6
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.