CID 59892304

2-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C6H5ClN4
SMILES
C1=CNC2=NC(=NC(=C21)N)Cl
InChI
InChI=1S/C6H5ClN4/c7-6-10-4(8)3-1-2-9-5(3)11-6/h1-2H,(H3,8,9,10,11)
InChIKey
IVGLNWQATTZNOH-UHFFFAOYSA-N
Compound name
2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

168.02028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.027556 129.7
[M+Na]+ 191.009498 142.2
[M-H]- 167.013004 129.4
[M+NH4]+ 186.054103 149.2
[M+K]+ 206.983438 136.7
[M+H-H2O]+ 151.017540 123.0
[M+HCOO]- 213.018481 147.6
[M+CH3COO]- 227.034131 143.4
[M+Na-2H]- 188.994946 138.0
[M]+ 168.01973142 130.1
[M]- 168.02082858 130.1
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