CID 3075298

4h-pyrrolo(1,2-a)benzimidazole-4-ethanamine, n,n-diethyl-2,3-diphenyl-, sulfate (1:1)

Structural Information

Molecular Formula
C28H29N3
SMILES
CCN(CC)CCN1C2=CC=CC=C2N3C1=C(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H29N3/c1-3-29(4-2)19-20-30-25-17-11-12-18-26(25)31-21-24(22-13-7-5-8-14-22)27(28(30)31)23-15-9-6-10-16-23/h5-18,21H,3-4,19-20H2,1-2H3
InChIKey
LHKVZRAZQQPVFX-UHFFFAOYSA-N
Compound name
2-(2,3-diphenylpyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.23615 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.24343 203.6
[M+Na]+ 430.22537 212.3
[M-H]- 406.22887 214.5
[M+NH4]+ 425.26997 217.3
[M+K]+ 446.19931 204.4
[M+H-H2O]+ 390.23341 192.4
[M+HCOO]- 452.23435 226.8
[M+CH3COO]- 466.25000 213.8
[M+Na-2H]- 428.21082 204.6
[M]+ 407.23560 209.5
[M]- 407.23670 209.5
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.