CID 75176102

1432903-09-7

Structural Information

Molecular Formula
C10H14ClN5O2
SMILES
CC(C)(C)OC(=O)N/N=C/C1=C(N=CN=C1Cl)N
InChI
InChI=1S/C10H14ClN5O2/c1-10(2,3)18-9(17)16-15-4-6-7(11)13-5-14-8(6)12/h4-5H,1-3H3,(H,16,17)(H2,12,13,14)/b15-4+
InChIKey
IQYKZYJEZUFSMT-SYZQJQIISA-N
Compound name
tert-butyl N-[(E)-(4-amino-6-chloropyrimidin-5-yl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0836 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09088 159.4
[M+Na]+ 294.07282 169.0
[M+NH4]+ 289.11742 164.5
[M+K]+ 310.04676 164.9
[M-H]- 270.07632 159.8
[M+Na-2H]- 292.05827 164.1
[M]+ 271.08305 160.7
[M]- 271.08415 160.7
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.