CID 9604796

3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-n'-hydroxy-propanamidine

Structural Information

Molecular Formula
C17H17N7O
SMILES
C1=CC=C2C(=C1)N=C(N2CC/C(=N\O)/N)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H17N7O/c18-16(21-25)9-10-23-14-7-3-1-5-12(14)19-17(23)11-24-15-8-4-2-6-13(15)20-22-24/h1-8,25H,9-11H2,(H2,18,21)
InChIKey
OGWCPQPWBYEZDR-UHFFFAOYSA-N
Compound name
3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N'-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

335.14944 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15672 174.9
[M+Na]+ 358.13866 185.4
[M-H]- 334.14216 178.6
[M+NH4]+ 353.18326 186.7
[M+K]+ 374.11260 179.0
[M+H-H2O]+ 318.14670 164.3
[M+HCOO]- 380.14764 196.4
[M+CH3COO]- 394.16329 185.4
[M+Na-2H]- 356.12411 180.8
[M]+ 335.14889 178.7
[M]- 335.14999 178.7
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

patents stripe