CID 6870726

326002-61-3

Structural Information

Molecular Formula
C17H17N5O2
SMILES
COC1=CC=CC=C1/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H17N5O2/c1-24-16-9-5-2-6-13(16)12-18-20-17(23)10-11-22-15-8-4-3-7-14(15)19-21-22/h2-9,12H,10-11H2,1H3,(H,20,23)/b18-12+
InChIKey
GWBCIVMJFGKPBG-LDADJPATSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.145476 173.7
[M+Na]+ 346.127418 181.8
[M-H]- 322.130924 179.1
[M+NH4]+ 341.172023 186.4
[M+K]+ 362.101358 177.2
[M+H-H2O]+ 306.135460 162.8
[M+HCOO]- 368.136401 198.4
[M+CH3COO]- 382.152051 213.1
[M+Na-2H]- 344.112866 180.7
[M]+ 323.13765142 178.1
[M]- 323.13874858 178.1
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.