CID 485015

(2s)-2-[(2-methyltetrazol-5-yl)methyl]-4-oxo-n-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide

Structural Information

Molecular Formula
C15H15F3N6O2
SMILES
CN1N=C(N=N1)C[C@H]2CC(=O)N2C(=O)NCC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H15F3N6O2/c1-23-21-12(20-22-23)6-11-7-13(25)24(11)14(26)19-8-9-2-4-10(5-3-9)15(16,17)18/h2-5,11H,6-8H2,1H3,(H,19,26)/t11-/m0/s1
InChIKey
BYYNBWGALXQKKQ-NSHDSACASA-N
Compound name
(2S)-2-[(2-methyltetrazol-5-yl)methyl]-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12813 187.4
[M+Na]+ 391.11007 194.5
[M-H]- 367.11357 187.2
[M+NH4]+ 386.15467 188.1
[M+K]+ 407.08401 192.3
[M+H-H2O]+ 351.11811 168.6
[M+HCOO]- 413.11905 199.2
[M+CH3COO]- 427.13470 218.7
[M+Na-2H]- 389.09552 186.6
[M]+ 368.12030 193.0
[M]- 368.12140 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.