CID 163311938

Ifikmcbutczkfi-uhfffaoysa-n

Structural Information

Molecular Formula
C17H18N8O
SMILES
C1CC1C2=NN3CCN(CCC3=N2)C(=O)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C17H18N8O/c26-17(13-4-2-1-3-12(13)16-19-22-23-20-16)24-8-7-14-18-15(11-5-6-11)21-25(14)10-9-24/h1-4,11H,5-10H2,(H,19,20,22,23)
InChIKey
IFIKMCBUTCZKFI-UHFFFAOYSA-N
Compound name
(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.16037 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16765 195.6
[M+Na]+ 373.14959 205.8
[M-H]- 349.15309 200.0
[M+NH4]+ 368.19419 196.7
[M+K]+ 389.12353 199.6
[M+H-H2O]+ 333.15763 180.8
[M+HCOO]- 395.15857 207.7
[M+CH3COO]- 409.17422 201.9
[M+Na-2H]- 371.13504 193.9
[M]+ 350.15982 193.0
[M]- 350.16092 193.0
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.