CID 3050789

Brn 2863961

Structural Information

Molecular Formula
C14H21N5
SMILES
CC(C)(C)N=C(NC#N)NC1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C14H21N5/c1-14(2,3)18-13(16-10-15)17-11-6-8-12(9-7-11)19(4)5/h6-9H,1-5H3,(H2,16,17,18)
InChIKey
KMJKCCBUNDCOGC-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-[4-(dimethylamino)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.1797 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18698 170.4
[M+Na]+ 282.16892 176.1
[M-H]- 258.17242 175.3
[M+NH4]+ 277.21352 185.4
[M+K]+ 298.14286 175.3
[M+H-H2O]+ 242.17696 156.0
[M+HCOO]- 304.17790 192.4
[M+CH3COO]- 318.19355 221.5
[M+Na-2H]- 280.15437 174.0
[M]+ 259.17915 164.8
[M]- 259.18025 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.