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

22
Patents

291.16953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17681 169.0
[M+Na]+ 314.15875 176.7
[M-H]- 290.16225 171.7
[M+NH4]+ 309.20335 182.8
[M+K]+ 330.13269 174.4
[M+H-H2O]+ 274.16679 159.8
[M+HCOO]- 336.16773 191.8
[M+CH3COO]- 350.18338 215.4
[M+Na-2H]- 312.14420 173.6
[M]+ 291.16898 172.0
[M]- 291.17008 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