CID 3277600

Sb 204741

Structural Information

Molecular Formula
C14H14N4OS
SMILES
CC1=NSC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C
InChI
InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
InChIKey
USFUFHFQWXDVMH-UHFFFAOYSA-N
Compound name
1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

77
Patents

286.08884 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09612 163.4
[M+Na]+ 309.07806 174.1
[M-H]- 285.08156 170.5
[M+NH4]+ 304.12266 181.9
[M+K]+ 325.05200 169.5
[M+H-H2O]+ 269.08610 156.4
[M+HCOO]- 331.08704 184.8
[M+CH3COO]- 345.10269 176.3
[M+Na-2H]- 307.06351 165.6
[M]+ 286.08829 168.1
[M]- 286.08939 168.1
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

patents stripe