CID 24941243

N~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C22H24N6O3
SMILES
CC1=C2C=CC(=CC2=NN1)N(C)C3=NC(=NC=C3)NC4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C22H24N6O3/c1-13-16-7-6-15(12-17(16)27-26-13)28(2)20-8-9-23-22(25-20)24-14-10-18(29-3)21(31-5)19(11-14)30-4/h6-12H,1-5H3,(H,26,27)(H,23,24,25)
InChIKey
FLXGQDHYCWXTAI-UHFFFAOYSA-N
Compound name
4-N-methyl-4-N-(3-methyl-2H-indazol-6-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.19098 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19826 201.3
[M+Na]+ 443.18020 210.3
[M-H]- 419.18370 208.5
[M+NH4]+ 438.22480 208.3
[M+K]+ 459.15414 205.0
[M+H-H2O]+ 403.18824 189.1
[M+HCOO]- 465.18918 222.0
[M+CH3COO]- 479.20483 210.4
[M+Na-2H]- 441.16565 204.9
[M]+ 420.19043 207.9
[M]- 420.19153 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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