CID 490667

Chembl434097

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CN(CC1=C2C(=CC=C1)N=C(N=C2N)N)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C18H21N5O2/c1-23(14-9-12(24-2)7-8-15(14)25-3)10-11-5-4-6-13-16(11)17(19)22-18(20)21-13/h4-9H,10H2,1-3H3,(H4,19,20,21,22)
InChIKey
NVHYXHSWQXQWAQ-UHFFFAOYSA-N
Compound name
5-[(2,5-dimethoxy-N-methylanilino)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

339.16953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 182.0
[M+Na]+ 362.15875 190.1
[M-H]- 338.16225 188.1
[M+NH4]+ 357.20335 193.5
[M+K]+ 378.13269 186.3
[M+H-H2O]+ 322.16679 171.4
[M+HCOO]- 384.16773 204.7
[M+CH3COO]- 398.18338 224.6
[M+Na-2H]- 360.14420 186.5
[M]+ 339.16898 184.3
[M]- 339.17008 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.