CID 456933

146204-51-5

Structural Information

Molecular Formula
C23H26N4O2
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CN4CCN(CC4)C
InChI
InChI=1S/C23H26N4O2/c1-18-20(17-25-14-12-24(2)13-15-25)16-23(19-6-4-3-5-7-19)26(18)21-8-10-22(11-9-21)27(28)29/h3-11,16H,12-15,17H2,1-2H3
InChIKey
MYYIMNSMXRYGFE-UHFFFAOYSA-N
Compound name
1-methyl-4-[[2-methyl-1-(4-nitrophenyl)-5-phenylpyrrol-3-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.20557 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21285 197.1
[M+Na]+ 413.19479 201.1
[M-H]- 389.19829 205.5
[M+NH4]+ 408.23939 204.4
[M+K]+ 429.16873 190.4
[M+H-H2O]+ 373.20283 188.9
[M+HCOO]- 435.20377 214.0
[M+CH3COO]- 449.21942 217.1
[M+Na-2H]- 411.18024 197.5
[M]+ 390.20502 192.1
[M]- 390.20612 192.1
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.