CID 56843875

22936-69-2

Structural Information

Molecular Formula

C₁₀H₁₈ClN₅

SMILES

CCNC1=NC(=NC(=N1)Cl)NC(C)C(C)C

InChI

InChI=1S/C10H18ClN5/c1-5-12-9-14-8(11)15-10(16-9)13-7(4)6(2)3/h6-7H,5H2,1-4H3,(H2,12,13,14,15,16)

InChIKey

KUSIBZBALUOJHM-UHFFFAOYSA-N

Compound name

6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 243.12508 Da
Monoisotopic Mass: 4.0
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]+	244.132356	156.6
[M+Na]+	266.114298	164.0
[M-H]-	242.117804	156.2
[M+NH4]+	261.158903	170.7
[M+K]+	282.088238	160.4
[M+H-H2O]+	226.122340	148.5
[M+HCOO]-	288.123281	172.3
[M+CH3COO]-	302.138931	200.1
[M+Na-2H]-	264.099746	160.8
[M]+	243.12453142	158.4
[M]-	243.12562858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe