CID 6150872

Nsc644225

Structural Information

Molecular Formula
C22H28N4O
SMILES
CC\1=NOC/C1=N\NC2=CC=C(C=C2)C(=NC3C4CC5CC(C4)CC3C5)C
InChI
InChI=1S/C22H28N4O/c1-13(23-22-18-8-15-7-16(10-18)11-19(22)9-15)17-3-5-20(6-4-17)24-25-21-12-27-26-14(21)2/h3-6,15-16,18-19,22,24H,7-12H2,1-2H3/b23-13?,25-21+
InChIKey
WNQFIYZXZBWENL-IKTUBQHTSA-N
Compound name
4-[N-(2-adamantyl)-C-methylcarbonimidoyl]-N-[(Z)-(3-methyl-1,2-oxazol-4-ylidene)amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.22632 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23360 175.8
[M+Na]+ 387.21554 175.4
[M-H]- 363.21904 178.2
[M+NH4]+ 382.26014 192.5
[M+K]+ 403.18948 172.5
[M+H-H2O]+ 347.22358 166.0
[M+HCOO]- 409.22452 185.4
[M+CH3COO]- 423.24017 182.6
[M+Na-2H]- 385.20099 182.5
[M]+ 364.22577 175.7
[M]- 364.22687 175.7
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.