CID 71440601

Owaanmsipjplrq-uhfffaoysa-n

Structural Information

Molecular Formula
C16H26N6
SMILES
CCN1CCCC1CN=C(N)N=C(N)NC2=CC=C(C=C2)C
InChI
InChI=1S/C16H26N6/c1-3-22-10-4-5-14(22)11-19-15(17)21-16(18)20-13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3,(H5,17,18,19,20,21)
InChIKey
OWAANMSIPJPLRQ-UHFFFAOYSA-N
Compound name
1-[amino-(4-methylanilino)methylidene]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2219 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.229176 173.2
[M+Na]+ 325.211118 175.5
[M-H]- 301.214624 179.8
[M+NH4]+ 320.255723 187.9
[M+K]+ 341.185058 172.9
[M+H-H2O]+ 285.219160 163.2
[M+HCOO]- 347.220101 198.8
[M+CH3COO]- 361.235751 220.2
[M+Na-2H]- 323.196566 173.5
[M]+ 302.22135142 167.6
[M]- 302.22244858 167.6
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.