CID 3042944

Brn 0690173

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CN(C)CCCC1(C(=O)NC2=CC=CC=C2NC1=O)CC=C
InChI
InChI=1S/C17H23N3O2/c1-4-10-17(11-7-12-20(2)3)15(21)18-13-8-5-6-9-14(13)19-16(17)22/h4-6,8-9H,1,7,10-12H2,2-3H3,(H,18,21)(H,19,22)
InChIKey
VLSDENHCXBCRIE-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-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

301.17902 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 170.0
[M+Na]+ 324.16824 175.1
[M-H]- 300.17174 171.3
[M+NH4]+ 319.21284 183.7
[M+K]+ 340.14218 174.5
[M+H-H2O]+ 284.17628 162.0
[M+HCOO]- 346.17722 185.4
[M+CH3COO]- 360.19287 207.1
[M+Na-2H]- 322.15369 172.9
[M]+ 301.17847 165.8
[M]- 301.17957 165.8
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.