CID 135492403

112086-30-3

Structural Information

Molecular Formula
C18H18N4
SMILES
C1=CC2=C3C(=C1)C(=NCCCCN4C=CN=C4)NC3=CC=C2
InChI
InChI=1S/C18H18N4/c1(2-11-22-12-10-19-13-22)9-20-18-15-7-3-5-14-6-4-8-16(21-18)17(14)15/h3-8,10,12-13H,1-2,9,11H2,(H,20,21)
InChIKey
ZSFQACOCRJJRLT-UHFFFAOYSA-N
Compound name
N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

290.15314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.160416 166.5
[M+Na]+ 313.142358 175.2
[M-H]- 289.145864 170.8
[M+NH4]+ 308.186963 183.5
[M+K]+ 329.116298 168.6
[M+H-H2O]+ 273.150400 156.8
[M+HCOO]- 335.151341 188.2
[M+CH3COO]- 349.166991 177.8
[M+Na-2H]- 311.127806 172.0
[M]+ 290.15259142 169.0
[M]- 290.15368858 169.0
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.