CID 118036111

8-((3r,4s)-4-ethylpyrrolidin-3-yl)-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine

Structural Information

Molecular Formula
C14H17N5
SMILES
CC[C@@H]1CNC[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3
InChI
InChI=1S/C14H17N5/c1-2-9-5-15-6-10(9)12-7-17-13-8-18-14-11(19(12)13)3-4-16-14/h3-4,7-10,15-16H,2,5-6H2,1H3/t9-,10+/m1/s1
InChIKey
JQCFYUAAZPLOAT-ZJUUUORDSA-N
Compound name
12-[(3R,4S)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

255.14839 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 158.4
[M+Na]+ 278.13761 169.3
[M-H]- 254.14111 159.8
[M+NH4]+ 273.18221 175.0
[M+K]+ 294.11155 163.1
[M+H-H2O]+ 238.14565 149.6
[M+HCOO]- 300.14659 175.3
[M+CH3COO]- 314.16224 169.5
[M+Na-2H]- 276.12306 159.5
[M]+ 255.14784 158.1
[M]- 255.14894 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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