CID 3075300

4h-pyrrolo(1,2-a)benzimidazole-4-ethanamine, 2-(4-chlorophenyl)-n,n-diethyl-3-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C28H28ClN3
SMILES
CCN(CC)CCN1C2=CC=CC=C2N3C1=C(C(=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C28H28ClN3/c1-3-30(4-2)18-19-31-25-12-8-9-13-26(25)32-20-24(21-14-16-23(29)17-15-21)27(28(31)32)22-10-6-5-7-11-22/h5-17,20H,3-4,18-19H2,1-2H3
InChIKey
ZUVBWFAMMXEMNB-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-3-phenylpyrrolo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.19717 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.20445 213.4
[M+Na]+ 464.18639 223.8
[M-H]- 440.18989 224.3
[M+NH4]+ 459.23099 226.9
[M+K]+ 480.16033 214.6
[M+H-H2O]+ 424.19443 202.4
[M+HCOO]- 486.19537 231.9
[M+CH3COO]- 500.21102 223.4
[M+Na-2H]- 462.17184 213.0
[M]+ 441.19662 222.1
[M]- 441.19772 222.1
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

patents stripe