CID 13544733

76362-29-3

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CN(CCCN)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC
InChI
InChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)
InChIKey
HVTJQTPDNHTWGI-UHFFFAOYSA-N
Compound name
2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

291.16953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.176806 169.0
[M+Na]+ 314.158748 176.7
[M-H]- 290.162254 171.7
[M+NH4]+ 309.203353 182.8
[M+K]+ 330.132688 174.4
[M+H-H2O]+ 274.166790 159.8
[M+HCOO]- 336.167731 191.8
[M+CH3COO]- 350.183381 215.4
[M+Na-2H]- 312.144196 173.6
[M]+ 291.16898142 172.0
[M]- 291.17007858 172.0
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

patents stripe