CID 173423

N,n'-dixylylguanidine

Structural Information

Molecular Formula
C17H21N3
SMILES
CC1=C(C(=CC=C1)NC(=NC2=CC=CC(=C2C)C)N)C
InChI
InChI=1S/C17H21N3/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3,(H3,18,19,20)
InChIKey
SQDYIZWEQGMDFO-UHFFFAOYSA-N
Compound name
1,2-bis(2,3-dimethylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

267.17355 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 166.7
[M+Na]+ 290.16277 179.7
[M+NH4]+ 285.20737 175.1
[M+K]+ 306.13671 171.7
[M-H]- 266.16627 173.5
[M+Na-2H]- 288.14822 175.3
[M]+ 267.17300 170.5
[M]- 267.17410 170.5
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

patents stripe