CID 484965

Chembl267207

Structural Information

Molecular Formula
C13H16N4S
SMILES
C1CC2=C(CC1CC3=CC=CS3)C(=NC(=N2)N)N
InChI
InChI=1S/C13H16N4S/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h1-2,5,8H,3-4,6-7H2,(H4,14,15,16,17)
InChIKey
KFAABLSTVOTSAU-UHFFFAOYSA-N
Compound name
6-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.10956 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11684 155.5
[M+Na]+ 283.09878 163.8
[M-H]- 259.10228 159.8
[M+NH4]+ 278.14338 172.4
[M+K]+ 299.07272 158.1
[M+H-H2O]+ 243.10682 147.9
[M+HCOO]- 305.10776 171.4
[M+CH3COO]- 319.12341 166.7
[M+Na-2H]- 281.08423 157.2
[M]+ 260.10901 152.7
[M]- 260.11011 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.