CID 3057721

Brn 5634157

Structural Information

Molecular Formula
C18H21FN4OS
SMILES
CC(C1C=C2C(=NC3=C(C=CC(=C3)F)N=C2S1)N4CCN(CC4)C)O
InChI
InChI=1S/C18H21FN4OS/c1-11(24)16-10-13-17(23-7-5-22(2)6-8-23)20-15-9-12(19)3-4-14(15)21-18(13)25-16/h3-4,9-11,16,24H,5-8H2,1-2H3
InChIKey
UVQPAGMBGOSYKM-UHFFFAOYSA-N
Compound name
1-[7-fluoro-4-(4-methylpiperazin-1-yl)-2H-thieno[3,2-c][1,5]benzodiazepin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.142 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14928 183.3
[M+Na]+ 383.13122 191.2
[M-H]- 359.13472 185.6
[M+NH4]+ 378.17582 194.2
[M+K]+ 399.10516 188.7
[M+H-H2O]+ 343.13926 173.3
[M+HCOO]- 405.14020 189.3
[M+CH3COO]- 419.15585 191.2
[M+Na-2H]- 381.11667 181.0
[M]+ 360.14145 179.7
[M]- 360.14255 179.7
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.