CID 3896828

54752-92-0

Structural Information

Molecular Formula

C₁₃H₁₃N₄

SMILES

CC1=CC(=[N+]2C(=N1)C3=CC=CC=C3C(=N2)N)C

InChI

InChI=1S/C13H13N4/c1-8-7-9(2)17-13(15-8)11-6-4-3-5-10(11)12(14)16-17/h3-7H,1-2H3,(H2,14,16)/q+1

InChIKey

OFXYDDLWAILSCX-UHFFFAOYSA-N

Compound name

2,4-dimethylpyrimido[2,1-a]phthalazin-5-ium-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 225.11403 Da
Monoisotopic Mass: 2.3
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]+	226.12131	146.7
[M+Na]+	248.10325	166.1
[M+NH4]+	243.14785	156.9
[M+K]+	264.07719	158.4
[M-H]-	224.10675	152.1
[M+Na-2H]-	246.08870	156.3
[M]+	225.11348	151.6
[M]-	225.11458	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe