CID 3011391

Schembl2962043

Structural Information

Molecular Formula
C26H25Cl2N5
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C26H25Cl2N5/c1-19-21(18-31-13-15-32(16-14-31)26-29-11-2-12-30-26)17-25(20-3-5-22(27)6-4-20)33(19)24-9-7-23(28)8-10-24/h2-12,17H,13-16,18H2,1H3
InChIKey
VFFMYEWQPQEVFG-UHFFFAOYSA-N
Compound name
2-[4-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

477.1487 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15598 217.3
[M+Na]+ 500.13792 225.0
[M-H]- 476.14142 224.1
[M+NH4]+ 495.18252 220.1
[M+K]+ 516.11186 214.2
[M+H-H2O]+ 460.14596 200.8
[M+HCOO]- 522.14690 220.2
[M+CH3COO]- 536.16255 222.7
[M+Na-2H]- 498.12337 213.2
[M]+ 477.14815 216.7
[M]- 477.14925 216.7
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.