CID 16549

Nsc 203013

Structural Information

Molecular Formula
C21H26N2
SMILES
CCC1=C(C(=CC=C1)CC)N(C#N)C2=C(C=CC=C2CC)CC
InChI
InChI=1S/C21H26N2/c1-5-16-11-9-12-17(6-2)20(16)23(15-22)21-18(7-3)13-10-14-19(21)8-4/h9-14H,5-8H2,1-4H3
InChIKey
OOKXSBASCXTVFX-UHFFFAOYSA-N
Compound name
bis(2,6-diethylphenyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 178.4
[M+Na]+ 329.19882 187.3
[M-H]- 305.20232 184.8
[M+NH4]+ 324.24342 192.5
[M+K]+ 345.17276 181.4
[M+H-H2O]+ 289.20686 163.7
[M+HCOO]- 351.20780 198.0
[M+CH3COO]- 365.22345 225.6
[M+Na-2H]- 327.18427 178.9
[M]+ 306.20905 176.3
[M]- 306.21015 176.3
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.