CID 475609

258849-84-2

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1C(=O)NC2=CC=CC=C2CN1CC3CCC3
InChI
InChI=1S/C15H20N2O/c1-11-15(18)16-14-8-3-2-7-13(14)10-17(11)9-12-5-4-6-12/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,16,18)
InChIKey
NFIVNLCCTFCAMV-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethyl)-3-methyl-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 156.0
[M+Na]+ 267.14678 160.5
[M-H]- 243.15028 159.9
[M+NH4]+ 262.19138 164.4
[M+K]+ 283.12072 161.8
[M+H-H2O]+ 227.15482 144.4
[M+HCOO]- 289.15576 170.0
[M+CH3COO]- 303.17141 197.2
[M+Na-2H]- 265.13223 158.8
[M]+ 244.15701 157.6
[M]- 244.15811 157.6
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.