CID 6338061

F 2330

Structural Information

Molecular Formula
C15H20N10
SMILES
CC1=C(C(=NN1C(=N)N)C)N=NC2=CC=C(C=C2)/C(=N/N=C(N)N)/C
InChI
InChI=1S/C15H20N10/c1-8(20-23-14(16)17)11-4-6-12(7-5-11)21-22-13-9(2)24-25(10(13)3)15(18)19/h4-7H,1-3H3,(H3,18,19)(H4,16,17,23)/b20-8+,22-21?
InChIKey
BNDBNBYBJCVJLT-SXOIIDFLSA-N
Compound name
4-[[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]diazenyl]-3,5-dimethylpyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.18726 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19454 180.9
[M+Na]+ 363.17648 186.0
[M-H]- 339.17998 190.5
[M+NH4]+ 358.22108 193.1
[M+K]+ 379.15042 184.6
[M+H-H2O]+ 323.18452 169.2
[M+HCOO]- 385.18546 212.7
[M+CH3COO]- 399.20111 241.2
[M+Na-2H]- 361.16193 183.0
[M]+ 340.18671 177.8
[M]- 340.18781 177.8
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.