CID 504704

Chembl49036

Structural Information

Molecular Formula

C₁₉H₂₆N₄

SMILES

CCCN(CC1CC1)C2=NC(=CC(=N2)N(C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4/c1-4-12-23(14-16-10-11-16)19-20-15(2)13-18(21-19)22(3)17-8-6-5-7-9-17/h5-9,13,16H,4,10-12,14H2,1-3H3

InChIKey

FSOBTLWLCKNQKP-UHFFFAOYSA-N

Compound name

2-N-(cyclopropylmethyl)-4-N,6-dimethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.21576 Da
Monoisotopic Mass: 4.7
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]+	311.223036	178.7
[M+Na]+	333.204978	185.5
[M-H]-	309.208484	188.2
[M+NH4]+	328.249583	186.7
[M+K]+	349.178918	181.4
[M+H-H2O]+	293.213020	167.8
[M+HCOO]-	355.213961	202.6
[M+CH3COO]-	369.229611	221.1
[M+Na-2H]-	331.190426	182.4
[M]+	310.21521142	183.1
[M]-	310.21630858	183.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.