CID 58785439

9024-13-9

Structural Information

Molecular Formula
C11H16N4
SMILES
CC(=NC(=NCCC1=CC=CC=C1)N)N
InChI
InChI=1S/C11H16N4/c1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,12,13,14,15)
InChIKey
RHNOFMBNSFLJPW-UHFFFAOYSA-N
Compound name
N'-[N'-(2-phenylethyl)carbamimidoyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

204.1375 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.144776 147.7
[M+Na]+ 227.126718 152.0
[M-H]- 203.130224 152.7
[M+NH4]+ 222.171323 166.1
[M+K]+ 243.100658 150.5
[M+H-H2O]+ 187.134760 139.8
[M+HCOO]- 249.135701 175.8
[M+CH3COO]- 263.151351 199.1
[M+Na-2H]- 225.112166 152.3
[M]+ 204.13695142 144.2
[M]- 204.13804858 144.2
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

patents stripe