CID 388603

Nsc683611

Structural Information

Molecular Formula

C₁₄H₁₉N₅O₂

SMILES

CC1CC(=O)NC2=C(N1C(=O)C)C=C(C=C2)N=NN(C)C

InChI

InChI=1S/C14H19N5O2/c1-9-7-14(21)15-12-6-5-11(16-17-18(3)4)8-13(12)19(9)10(2)20/h5-6,8-9H,7H2,1-4H3,(H,15,21)

InChIKey

XCTVTCKRJJTLHD-UHFFFAOYSA-N

Compound name

5-acetyl-7-(dimethylaminodiazenyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.15387 Da
Monoisotopic Mass: 1.3
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]+	290.161146	165.7
[M+Na]+	312.143088	171.6
[M-H]-	288.146594	171.8
[M+NH4]+	307.187693	179.8
[M+K]+	328.117028	175.3
[M+H-H2O]+	272.151130	156.4
[M+HCOO]-	334.152071	187.4
[M+CH3COO]-	348.167721	216.5
[M+Na-2H]-	310.128536	169.5
[M]+	289.15332142	163.9
[M]-	289.15441858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.