CID 490668

Chembl162270

Structural Information

Molecular Formula
C19H23N5O3
SMILES
CN(CC1=C2C(=CC=C1)N=C(N=C2N)N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H23N5O3/c1-24(12-8-14(25-2)17(27-4)15(9-12)26-3)10-11-6-5-7-13-16(11)18(20)23-19(21)22-13/h5-9H,10H2,1-4H3,(H4,20,21,22,23)
InChIKey
RJJKDQLFIKMANF-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxy-N-methylanilino)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.18008 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 190.3
[M+Na]+ 392.16930 198.5
[M-H]- 368.17280 196.5
[M+NH4]+ 387.21390 200.6
[M+K]+ 408.14324 195.3
[M+H-H2O]+ 352.17734 179.4
[M+HCOO]- 414.17828 212.6
[M+CH3COO]- 428.19393 231.1
[M+Na-2H]- 390.15475 193.5
[M]+ 369.17953 194.6
[M]- 369.18063 194.6
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.