CID 366207

Nsc634535

Structural Information

Molecular Formula
C12H15N5O
SMILES
C=CCNC(=O)CN1NC(=NN1)C2=CC=CC=C2
InChI
InChI=1S/C12H15N5O/c1-2-8-13-11(18)9-17-15-12(14-16-17)10-6-4-3-5-7-10/h2-7,16H,1,8-9H2,(H,13,18)(H,14,15)
InChIKey
JXWJGTDZYMIXKO-UHFFFAOYSA-N
Compound name
2-(5-phenyl-1,3-dihydrotetrazol-2-yl)-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12766 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.134936 157.3
[M+Na]+ 268.116878 163.2
[M-H]- 244.120384 155.8
[M+NH4]+ 263.161483 168.8
[M+K]+ 284.090818 157.6
[M+H-H2O]+ 228.124920 147.4
[M+HCOO]- 290.125861 174.0
[M+CH3COO]- 304.141511 189.1
[M+Na-2H]- 266.102326 160.5
[M]+ 245.12711142 152.4
[M]- 245.12820858 152.4
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.