CID 24745335

Adriforant

Structural Information

Molecular Formula
C13H22N6
SMILES
CN[C@@H]1CCN(C1)C2=NC(=NC(=C2)NCC3CC3)N
InChI
InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
InChIKey
ISBHYKVAFKTATD-SNVBAGLBSA-N
Compound name
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

444
Patents

262.19058 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19786 161.9
[M+Na]+ 285.17980 169.2
[M-H]- 261.18330 167.8
[M+NH4]+ 280.22440 170.8
[M+K]+ 301.15374 163.1
[M+H-H2O]+ 245.18784 152.5
[M+HCOO]- 307.18878 183.8
[M+CH3COO]- 321.20443 171.7
[M+Na-2H]- 283.16525 164.8
[M]+ 262.19003 159.7
[M]- 262.19113 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe