CID 54627

80784-95-8

Structural Information

Molecular Formula
C27H33N3S
SMILES
CC(C)N(CCSC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H33N3S/c1-21(2)30(22(3)4)19-20-31-26-17-15-25(16-18-26)29-27(23-11-7-5-8-12-23)28-24-13-9-6-10-14-24/h5-18,21-22H,19-20H2,1-4H3,(H,28,29)
InChIKey
KDXHACCUXXYXIT-UHFFFAOYSA-N
Compound name
N'-[4-[2-[di(propan-2-yl)amino]ethylsulfanyl]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.23953 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.24681 208.8
[M+Na]+ 454.22875 209.6
[M-H]- 430.23225 219.0
[M+NH4]+ 449.27335 218.3
[M+K]+ 470.20269 204.4
[M+H-H2O]+ 414.23679 197.4
[M+HCOO]- 476.23773 226.9
[M+CH3COO]- 490.25338 241.9
[M+Na-2H]- 452.21420 207.6
[M]+ 431.23898 210.5
[M]- 431.24008 210.5
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

No patent data available for this compound.