CID 292661

Quinazoline-2,4,6-triamine

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CC2=C(C=C1N)C(=NC(=N2)N)N
InChI
InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)
InChIKey
LJBWEZVYRBKOCI-UHFFFAOYSA-N
Compound name
quinazoline-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

339
Patents

175.0858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 135.2
[M+Na]+ 198.07502 145.1
[M-H]- 174.07852 136.8
[M+NH4]+ 193.11962 152.9
[M+K]+ 214.04896 141.1
[M+H-H2O]+ 158.08306 127.9
[M+HCOO]- 220.08400 158.7
[M+CH3COO]- 234.09965 148.0
[M+Na-2H]- 196.06047 143.5
[M]+ 175.08525 130.9
[M]- 175.08635 130.9
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

patents stripe