CID 512944

2-[(3-azido-2,4,5-triphenyl-pyrrol-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C25H22N4O2
SMILES
C1=CC=C(C=C1)C2=C(N(C(=C2N=[N+]=[N-])C3=CC=CC=C3)COCCO)C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2/c26-28-27-23-22(19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)29(18-31-17-16-30)25(23)21-14-8-3-9-15-21/h1-15,30H,16-18H2
InChIKey
UQSAPWBUJOWWSC-UHFFFAOYSA-N
Compound name
2-[(3-azido-2,4,5-triphenylpyrrol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.1743 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18158 199.4
[M+Na]+ 433.16352 203.8
[M-H]- 409.16702 211.8
[M+NH4]+ 428.20812 208.5
[M+K]+ 449.13746 192.3
[M+H-H2O]+ 393.17156 191.3
[M+HCOO]- 455.17250 227.0
[M+CH3COO]- 469.18815 225.5
[M+Na-2H]- 431.14897 204.9
[M]+ 410.17375 198.2
[M]- 410.17485 198.2
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.