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]+ 246.16010 154.8
[M+Na]+ 268.14204 161.3
[M-H]- 244.14554 158.1
[M+NH4]+ 263.18664 170.0
[M+K]+ 284.11598 162.6
[M+H-H2O]+ 228.15008 147.0
[M+HCOO]- 290.15102 173.6
[M+CH3COO]- 304.16667 199.9
[M+Na-2H]- 266.12749 159.6
[M]+ 245.15227 152.4
[M]- 245.15337 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.