CID 3044508

Brn 0622053

Structural Information

Molecular Formula
C18H21N3O
SMILES
CC1=C2C(=CN1CC(C)C)NC(=O)CN=C2C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O/c1-12(2)10-21-11-15-17(13(21)3)18(19-9-16(22)20-15)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKey
XLNSOSGGRBEEQN-UHFFFAOYSA-N
Compound name
6-methyl-7-(2-methylpropyl)-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 171.2
[M+Na]+ 318.15768 182.5
[M+NH4]+ 313.20228 177.4
[M+K]+ 334.13162 178.8
[M-H]- 294.16118 173.0
[M+Na-2H]- 316.14313 176.2
[M]+ 295.16791 173.3
[M]- 295.16901 173.3
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.