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]+ 207.13527 143.2
[M+Na]+ 229.11721 146.7
[M-H]- 205.12071 148.0
[M+NH4]+ 224.16181 160.4
[M+K]+ 245.09115 145.7
[M+H-H2O]+ 189.12525 134.6
[M+HCOO]- 251.12619 173.2
[M+CH3COO]- 265.14184 203.3
[M+Na-2H]- 227.10266 148.7
[M]+ 206.12744 136.5
[M]- 206.12854 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.