CID 3052354

Brn 0667459

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₃

SMILES

CC1=CN2C(=NC3=C(C2=O)C=C(C=C3)C(=O)O)C=C1

InChI

InChI=1S/C14H10N2O3/c1-8-2-5-12-15-11-4-3-9(14(18)19)6-10(11)13(17)16(12)7-8/h2-7H,1H3,(H,18,19)

InChIKey

YRJDGHURCRQXTP-UHFFFAOYSA-N

Compound name

8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 254.06914 Da
Monoisotopic Mass: 1.0
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]+	255.076416	153.4
[M+Na]+	277.058358	165.6
[M-H]-	253.061864	156.2
[M+NH4]+	272.102963	169.5
[M+K]+	293.032298	160.6
[M+H-H2O]+	237.066400	145.4
[M+HCOO]-	299.067341	172.9
[M+CH3COO]-	313.082991	166.1
[M+Na-2H]-	275.043806	161.8
[M]+	254.06859142	156.9
[M]-	254.06968858	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe