CID 162345438

Ns00133275

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

CC1=C2C(=NC=C1)NC(=CC(=O)N2)N=C

InChI

InChI=1S/C10H10N4O/c1-6-3-4-12-10-9(6)14-8(15)5-7(11-2)13-10/h3-5H,2H2,1H3,(H,12,13)(H,14,15)

InChIKey

QHRCFYLJLWEDNR-UHFFFAOYSA-N

Compound name

9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.08546 Da
Monoisotopic Mass: 2.0
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]+	203.092736	142.9
[M+Na]+	225.074678	151.3
[M-H]-	201.078184	144.1
[M+NH4]+	220.119283	157.6
[M+K]+	241.048618	151.4
[M+H-H2O]+	185.082720	134.5
[M+HCOO]-	247.083661	161.3
[M+CH3COO]-	261.099311	154.3
[M+Na-2H]-	223.060126	150.2
[M]+	202.08491142	138.0
[M]-	202.08600858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.