CID 484458

Chembl523973

Structural Information

Molecular Formula
C19H23N3S
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CS2)N3C=CN=C3
InChI
InChI=1S/C19H23N3S/c1-19(2,3)17-8-6-16(7-9-17)13-22(21-11-10-20-15-21)14-18-5-4-12-23-18/h4-12,15H,13-14H2,1-3H3
InChIKey
BVIIVTMCMYAPGM-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-(thiophen-2-ylmethyl)imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.16125 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 179.2
[M+Na]+ 348.15047 187.6
[M-H]- 324.15397 189.0
[M+NH4]+ 343.19507 195.5
[M+K]+ 364.12441 183.3
[M+H-H2O]+ 308.15851 170.6
[M+HCOO]- 370.15945 199.0
[M+CH3COO]- 384.17510 191.1
[M+Na-2H]- 346.13592 179.6
[M]+ 325.16070 184.6
[M]- 325.16180 184.6
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.