CID 479114

5-[(2,7-dimethyl-1,3-dihydroindazol-5-yl)methyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C14H18N6
SMILES
CC1=CC(=CC2=C1NN(C2)C)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C14H18N6/c1-8-3-9(5-11-7-20(2)19-12(8)11)4-10-6-17-14(16)18-13(10)15/h3,5-6,19H,4,7H2,1-2H3,(H4,15,16,17,18)
InChIKey
ISCCCDOXNXOXDR-UHFFFAOYSA-N
Compound name
5-[(2,7-dimethyl-1,3-dihydroindazol-5-yl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16658 166.3
[M+Na]+ 293.14852 176.0
[M-H]- 269.15202 167.6
[M+NH4]+ 288.19312 179.1
[M+K]+ 309.12246 169.2
[M+H-H2O]+ 253.15656 156.9
[M+HCOO]- 315.15750 183.9
[M+CH3COO]- 329.17315 176.3
[M+Na-2H]- 291.13397 168.7
[M]+ 270.15875 162.7
[M]- 270.15985 162.7
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.