CID 135618186

Brn 0810712

Structural Information

Molecular Formula
C14H22N4O
SMILES
CN1CCN(CC1)C2=NC3=C(CCCCC3)C(=O)N2
InChI
InChI=1S/C14H22N4O/c1-17-7-9-18(10-8-17)14-15-12-6-4-2-3-5-11(12)13(19)16-14/h2-10H2,1H3,(H,15,16,19)
InChIKey
DELQIHYTKKPXET-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.17935 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 163.5
[M+Na]+ 285.16857 168.3
[M-H]- 261.17207 164.5
[M+NH4]+ 280.21317 174.0
[M+K]+ 301.14251 167.0
[M+H-H2O]+ 245.17661 152.2
[M+HCOO]- 307.17755 173.8
[M+CH3COO]- 321.19320 171.5
[M+Na-2H]- 283.15402 166.3
[M]+ 262.17880 153.7
[M]- 262.17990 153.7
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.