CID 457340

Chembl23454

Structural Information

Molecular Formula
C17H19N5O2
SMILES
COC1=CC(=C(C=C1)OC)NCC2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C17H19N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
InChIKey
TWVIRKATMIXZLX-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxyanilino)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.15387 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 176.6
[M+Na]+ 348.14309 185.1
[M-H]- 324.14659 181.5
[M+NH4]+ 343.18769 188.1
[M+K]+ 364.11703 180.1
[M+H-H2O]+ 308.15113 166.4
[M+HCOO]- 370.15207 199.2
[M+CH3COO]- 384.16772 218.5
[M+Na-2H]- 346.12854 182.4
[M]+ 325.15332 177.4
[M]- 325.15442 177.4
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.