CID 6048956

Nsc641606

Structural Information

Molecular Formula
C9H14N6
SMILES
C1=CC=C(C=C1)C/C(=N/N)/NN=C(N)N
InChI
InChI=1S/C9H14N6/c10-9(11)15-14-8(13-12)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H,13,14)(H4,10,11,15)
InChIKey
NVFBYAJGHVGYAQ-UHFFFAOYSA-N
Compound name
N'-amino-N-(diaminomethylideneamino)-2-phenylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.12799 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.135266 143.2
[M+Na]+ 229.117208 146.7
[M-H]- 205.120714 148.0
[M+NH4]+ 224.161813 160.4
[M+K]+ 245.091148 145.7
[M+H-H2O]+ 189.125250 134.6
[M+HCOO]- 251.126191 173.2
[M+CH3COO]- 265.141841 203.3
[M+Na-2H]- 227.102656 148.7
[M]+ 206.12744142 136.5
[M]- 206.12853858 136.5
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.