CID 64504

77966-95-1

Structural Information

Molecular Formula
C21H25N5O
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H25N5O/c1-13-2-4-17(5-3-13)18-12-22-25-20(23-18)26-24-19(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12,14-16H,6-11H2,1H3,(H,24,27)(H,23,25,26)
InChIKey
XZUQJFVQZXFEKX-UHFFFAOYSA-N
Compound name
N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.2059 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21318 177.6
[M+Na]+ 386.19512 178.4
[M-H]- 362.19862 174.5
[M+NH4]+ 381.23972 191.7
[M+K]+ 402.16906 173.5
[M+H-H2O]+ 346.20316 164.9
[M+HCOO]- 408.20410 182.4
[M+CH3COO]- 422.21975 182.7
[M+Na-2H]- 384.18057 188.9
[M]+ 363.20535 176.2
[M]- 363.20645 176.2
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

No patent data available for this compound.