CID 370725

Nsc644224

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC1=NNC(=O)C1N=NC2=CC=C(C=C2)C(=NC3C4CC5CC(C4)CC3C5)C
InChI
InChI=1S/C22H27N5O/c1-12(23-21-17-8-14-7-15(10-17)11-18(21)9-14)16-3-5-19(6-4-16)25-26-20-13(2)24-27-22(20)28/h3-6,14-15,17-18,20-21H,7-11H2,1-2H3,(H,27,28)
InChIKey
RJCPHQWXUNYVJF-UHFFFAOYSA-N
Compound name
4-[[4-[N-(2-adamantyl)-C-methylcarbonimidoyl]phenyl]diazenyl]-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.22156 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 179.8
[M+Na]+ 400.21078 180.0
[M-H]- 376.21428 180.5
[M+NH4]+ 395.25538 195.9
[M+K]+ 416.18472 175.8
[M+H-H2O]+ 360.21882 169.4
[M+HCOO]- 422.21976 189.1
[M+CH3COO]- 436.23541 186.0
[M+Na-2H]- 398.19623 185.7
[M]+ 377.22101 179.3
[M]- 377.22211 179.3
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.