CID 74788504

1452182-34-1

Structural Information

Molecular Formula
C9H13BrN4O2
SMILES
CC(C)(C)OC(=O)NNC1=NC=C(C=N1)Br
InChI
InChI=1S/C9H13BrN4O2/c1-9(2,3)16-8(15)14-13-7-11-4-6(10)5-12-7/h4-5H,1-3H3,(H,14,15)(H,11,12,13)
InChIKey
QWJRMGBFMCHITC-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromopyrimidin-2-yl)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0222 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02948 156.4
[M+Na]+ 311.01142 156.9
[M+NH4]+ 306.05602 158.6
[M+K]+ 326.98536 159.0
[M-H]- 287.01492 155.0
[M+Na-2H]- 308.99687 158.4
[M]+ 288.02165 154.6
[M]- 288.02275 154.6
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.