CID 479111

5-(4,5,6-trimethoxyindolin-1-yl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H19N5O3
SMILES
COC1=C(C(=C2CCN(C2=C1)C3=CN=C(N=C3N)N)OC)OC
InChI
InChI=1S/C15H19N5O3/c1-21-11-6-9-8(12(22-2)13(11)23-3)4-5-20(9)10-7-18-15(17)19-14(10)16/h6-7H,4-5H2,1-3H3,(H4,16,17,18,19)
InChIKey
DQUZZVCHSDLFRT-UHFFFAOYSA-N
Compound name
5-(4,5,6-trimethoxy-2,3-dihydroindol-1-yl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1488 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15608 174.1
[M+Na]+ 340.13802 183.8
[M-H]- 316.14152 178.2
[M+NH4]+ 335.18262 186.9
[M+K]+ 356.11196 179.9
[M+H-H2O]+ 300.14606 164.7
[M+HCOO]- 362.14700 194.6
[M+CH3COO]- 376.16265 213.6
[M+Na-2H]- 338.12347 176.0
[M]+ 317.14825 176.6
[M]- 317.14935 176.6
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.