CID 365045

Nsc632003

Structural Information

Molecular Formula
C20H27N5O
SMILES
CCCC1=C(C(=NC(=N1)NC#N)C(=O)NC23CC4CC(C2)CC(C4)C3)C
InChI
InChI=1S/C20H27N5O/c1-3-4-16-12(2)17(24-19(23-16)22-11-21)18(26)25-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,3-10H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKey
SVKWMZWEIMAQAB-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(cyanoamino)-5-methyl-6-propylpyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.22156 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.22884 183.7
[M+Na]+ 376.21078 188.7
[M-H]- 352.21428 179.0
[M+NH4]+ 371.25538 198.7
[M+K]+ 392.18472 178.3
[M+H-H2O]+ 336.21882 169.1
[M+HCOO]- 398.21976 186.8
[M+CH3COO]- 412.23541 188.1
[M+Na-2H]- 374.19623 191.1
[M]+ 353.22101 179.2
[M]- 353.22211 179.2
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

patents stripe