CID 488870

Gsq-1530 free base

Structural Information

Molecular Formula
C25H26Cl2N10O4S
SMILES
CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=NSC(=C4Cl)Cl
InChI
InChI=1S/C25H26Cl2N10O4S/c1-35-9-12(6-15(35)22(38)30-5-4-18(28)29)31-23(39)16-7-13(10-36(16)2)32-24(40)17-8-14(11-37(17)3)33-25(41)20-19(26)21(27)42-34-20/h6-11H,4-5H2,1-3H3,(H3,28,29)(H,30,38)(H,31,39)(H,32,40)(H,33,41)
InChIKey
VNWXDMXRLSFYGU-UHFFFAOYSA-N
Compound name
N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4,5-dichloro-1,2-thiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.1236 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.13088 247.9
[M+Na]+ 655.11282 253.0
[M-H]- 631.11632 260.7
[M+NH4]+ 650.15742 252.0
[M+K]+ 671.08676 250.0
[M+H-H2O]+ 615.12086 240.3
[M+HCOO]- 677.12180 259.9
[M+CH3COO]- 691.13745 271.5
[M+Na-2H]- 653.09827 231.2
[M]+ 632.12305 257.1
[M]- 632.12415 257.1
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.