CID 401584

1185293-91-7

Structural Information

Molecular Formula
C15H15N3
SMILES
CC1=CC2=C(C=C1)N=C(N2)CC3=CC=C(C=C3)N
InChI
InChI=1S/C15H15N3/c1-10-2-7-13-14(8-10)18-15(17-13)9-11-3-5-12(16)6-4-11/h2-8H,9,16H2,1H3,(H,17,18)
InChIKey
OPLXYWVBFUSFRS-UHFFFAOYSA-N
Compound name
4-[(6-methyl-1H-benzimidazol-2-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.1266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 153.4
[M+Na]+ 260.11582 163.7
[M-H]- 236.11932 157.7
[M+NH4]+ 255.16042 170.6
[M+K]+ 276.08976 157.0
[M+H-H2O]+ 220.12386 145.3
[M+HCOO]- 282.12480 175.9
[M+CH3COO]- 296.14045 165.9
[M+Na-2H]- 258.10127 159.3
[M]+ 237.12605 152.7
[M]- 237.12715 152.7
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