CID 3055133

72041-89-5

Structural Information

Molecular Formula
C17H19N5S
SMILES
CC(C)(C)N=C(NC1=NC2=CC=CC=C2C=C1)NC3=NC=CS3
InChI
InChI=1S/C17H19N5S/c1-17(2,3)22-15(21-16-18-10-11-23-16)20-14-9-8-12-6-4-5-7-13(12)19-14/h4-11H,1-3H3,(H2,18,19,20,21,22)
InChIKey
GOIROQRYJCEHRH-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-quinolin-2-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.143376 175.0
[M+Na]+ 348.125318 182.9
[M-H]- 324.128824 181.9
[M+NH4]+ 343.169923 189.9
[M+K]+ 364.099258 177.6
[M+H-H2O]+ 308.133360 166.2
[M+HCOO]- 370.134301 195.1
[M+CH3COO]- 384.149951 186.0
[M+Na-2H]- 346.110766 181.9
[M]+ 325.13555142 177.8
[M]- 325.13664858 177.8
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.