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 165.7
[M+Na]+ 290.16277 172.8
[M-H]- 266.16627 173.9
[M+NH4]+ 285.20737 182.4
[M+K]+ 306.13671 168.7
[M+H-H2O]+ 250.17081 157.5
[M+HCOO]- 312.17175 192.1
[M+CH3COO]- 326.18740 211.3
[M+Na-2H]- 288.14822 168.4
[M]+ 267.17300 164.7
[M]- 267.17410 164.7
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