CID 9574149

Chembl326269

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC(C)N1C2=C(C=CC(=C2)/C(=N/O)/C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C17H18N4O/c1-11(2)21-15-10-13(8-9-14(15)19-17(21)18)16(20-22)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H2,18,19)/b20-16+
InChIKey
CZUASZHISYLYCM-CAPFRKAQSA-N
Compound name
(NE)-N-[(2-amino-3-propan-2-ylbenzimidazol-5-yl)-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

294.14807 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.155346 169.0
[M+Na]+ 317.137288 177.3
[M-H]- 293.140794 174.5
[M+NH4]+ 312.181893 183.8
[M+K]+ 333.111228 172.3
[M+H-H2O]+ 277.145330 160.0
[M+HCOO]- 339.146271 191.6
[M+CH3COO]- 353.161921 180.3
[M+Na-2H]- 315.122736 172.6
[M]+ 294.14752142 169.5
[M]- 294.14861858 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe