CID 165914896

En300-28282922

Structural Information

Molecular Formula
C11H13ClN4O2
SMILES
CC(C)(C)OC(=O)NC1=NC(=NC2=C1C=CN2)Cl
InChI
InChI=1S/C11H13ClN4O2/c1-11(2,3)18-10(17)16-8-6-4-5-13-7(6)14-9(12)15-8/h4-5H,1-3H3,(H2,13,14,15,16,17)
InChIKey
WOCKFECGHFVIJS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0727 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07998 157.4
[M+Na]+ 291.06192 169.2
[M+NH4]+ 286.10652 163.4
[M+K]+ 307.03586 166.4
[M-H]- 267.06542 156.4
[M+Na-2H]- 289.04737 162.0
[M]+ 268.07215 158.8
[M]- 268.07325 158.8
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.