CID 135429887

52546-79-9

Structural Information

Molecular Formula
C15H22N6O
SMILES
COC1=CC=C(C=C1)/C(=N\N)/C2=NNC3(CCCCC3)NN2
InChI
InChI=1S/C15H22N6O/c1-22-12-7-5-11(6-8-12)13(17-16)14-18-20-15(21-19-14)9-3-2-4-10-15/h5-8,20-21H,2-4,9-10,16H2,1H3,(H,18,19)/b17-13+
InChIKey
ZEORTANFSFEFDE-GHRIWEEISA-N
Compound name
(E)-[(4-methoxyphenyl)-(1,2,4,5-tetrazaspiro[5.5]undec-3-en-3-yl)methylidene]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.18552 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19280 171.5
[M+Na]+ 325.17474 174.2
[M-H]- 301.17824 170.5
[M+NH4]+ 320.21934 180.2
[M+K]+ 341.14868 168.1
[M+H-H2O]+ 285.18278 160.6
[M+HCOO]- 347.18372 182.4
[M+CH3COO]- 361.19937 177.6
[M+Na-2H]- 323.16019 176.2
[M]+ 302.18497 159.2
[M]- 302.18607 159.2
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.