CID 499323

Nsc670714

Structural Information

Molecular Formula
C13H21N7
SMILES
CC1=NCCCCCCN=C(C1N=NC2=NC=NN2)C
InChI
InChI=1S/C13H21N7/c1-10-12(18-20-13-16-9-17-19-13)11(2)15-8-6-4-3-5-7-14-10/h9,12H,3-8H2,1-2H3,(H,16,17,19)
InChIKey
FBHOFPMCNYFRQH-UHFFFAOYSA-N
Compound name
(2,4-dimethyl-1,5-diazacycloundeca-1,4-dien-3-yl)-(1H-1,2,4-triazol-5-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18585 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19313 160.1
[M+Na]+ 298.17507 166.1
[M-H]- 274.17857 159.3
[M+NH4]+ 293.21967 168.5
[M+K]+ 314.14901 163.6
[M+H-H2O]+ 258.18311 151.2
[M+HCOO]- 320.18405 179.0
[M+CH3COO]- 334.19970 169.0
[M+Na-2H]- 296.16052 164.1
[M]+ 275.18530 154.3
[M]- 275.18640 154.3
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.