CID 75176102

N'-[(1e)-(4-amino-6-chloropyrimidin-5-yl)methylidene](tert-butoxy)carbohydrazide

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 161.7
[M+Na]+ 294.07282 170.0
[M-H]- 270.07632 164.2
[M+NH4]+ 289.11742 176.3
[M+K]+ 310.04676 167.0
[M+H-H2O]+ 254.08086 154.3
[M+HCOO]- 316.08180 181.0
[M+CH3COO]- 330.09745 203.7
[M+Na-2H]- 292.05827 167.6
[M]+ 271.08305 164.3
[M]- 271.08415 164.3
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.