CID 1233632

5498-17-9

Structural Information

Molecular Formula

C₈H₁₅N₅S

SMILES

CCNC1=NC(=S)N=C(N1)NC(C)C

InChI

InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)

InChIKey

BAAMDWUVIPLPOL-UHFFFAOYSA-N

Compound name

2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazine-4-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 5
Patents: 213.10481 Da
Monoisotopic Mass: 0.7
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]+	214.11209	146.4
[M+Na]+	236.09403	154.4
[M-H]-	212.09753	145.2
[M+NH4]+	231.13863	160.9
[M+K]+	252.06797	149.6
[M+H-H2O]+	196.10207	138.7
[M+HCOO]-	258.10301	161.7
[M+CH3COO]-	272.11866	190.0
[M+Na-2H]-	234.07948	149.7
[M]+	213.10426	145.7
[M]-	213.10536	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe