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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.164836	156.0
[M+Na]+	267.146778	160.5
[M-H]-	243.150284	159.9
[M+NH4]+	262.191383	164.4
[M+K]+	283.120718	161.8
[M+H-H2O]+	227.154820	144.4
[M+HCOO]-	289.155761	170.0
[M+CH3COO]-	303.171411	197.2
[M+Na-2H]-	265.132226	158.8
[M]+	244.15701142	157.6
[M]-	244.15810858	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.