CID 3022609

1,3-bis(2,4-bis(dimethylamino)phenyl)thiourea

Structural Information

Molecular Formula
C21H32N6S
SMILES
CN(C)C1=CC(=C(C=C1)NC(=S)NC2=C(C=C(C=C2)N(C)C)N(C)C)N(C)C
InChI
InChI=1S/C21H32N6S/c1-24(2)15-9-11-17(19(13-15)26(5)6)22-21(28)23-18-12-10-16(25(3)4)14-20(18)27(7)8/h9-14H,1-8H3,(H2,22,23,28)
InChIKey
DOAPFSSPSUJBMP-UHFFFAOYSA-N
Compound name
1,3-bis[2,4-bis(dimethylamino)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2409 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.248176 202.5
[M+Na]+ 423.230118 205.0
[M-H]- 399.233624 213.9
[M+NH4]+ 418.274723 214.8
[M+K]+ 439.204058 204.3
[M+H-H2O]+ 383.238160 191.4
[M+HCOO]- 445.239101 225.4
[M+CH3COO]- 459.254751 253.2
[M+Na-2H]- 421.215566 200.6
[M]+ 400.24035142 206.8
[M]- 400.24144858 206.8
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.