CID 3046676

62537-66-0

Structural Information

Molecular Formula
C14H19N3O
SMILES
CCN(CC)C1=NC2=CC=CC=C2NC(=O)C1C
InChI
InChI=1S/C14H19N3O/c1-4-17(5-2)13-10(3)14(18)16-12-9-7-6-8-11(12)15-13/h6-10H,4-5H2,1-3H3,(H,16,18)
InChIKey
DIIIXLFPJOLREQ-UHFFFAOYSA-N
Compound name
4-(diethylamino)-3-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 154.8
[M+Na]+ 268.142038 161.3
[M-H]- 244.145544 158.1
[M+NH4]+ 263.186643 170.0
[M+K]+ 284.115978 162.6
[M+H-H2O]+ 228.150080 147.0
[M+HCOO]- 290.151021 173.6
[M+CH3COO]- 304.166671 199.9
[M+Na-2H]- 266.127486 159.6
[M]+ 245.15227142 152.4
[M]- 245.15336858 152.4
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.