CID 475608

258849-83-1

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1C(=O)NC2=CC=CC=C2CN1CC=C(C)C
InChI
InChI=1S/C15H20N2O/c1-11(2)8-9-17-10-13-6-4-5-7-14(13)16-15(18)12(17)3/h4-8,12H,9-10H2,1-3H3,(H,16,18)
InChIKey
UQQZLICQYDBFRY-UHFFFAOYSA-N
Compound name
3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 154.7
[M+Na]+ 267.14678 160.5
[M-H]- 243.15028 156.1
[M+NH4]+ 262.19138 169.3
[M+K]+ 283.12072 160.0
[M+H-H2O]+ 227.15482 147.6
[M+HCOO]- 289.15576 169.5
[M+CH3COO]- 303.17141 195.3
[M+Na-2H]- 265.13223 157.2
[M]+ 244.15701 149.5
[M]- 244.15811 149.5
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.