CID 21116203

135866-44-3

Structural Information

Molecular Formula
C19H26N4O
SMILES
C1=CC(=CC(=C1)CNCCC(=O)NCC2=CC=CC(=C2)CN)CN
InChI
InChI=1S/C19H26N4O/c20-11-15-3-1-5-17(9-15)13-22-8-7-19(24)23-14-18-6-2-4-16(10-18)12-21/h1-6,9-10,22H,7-8,11-14,20-21H2,(H,23,24)
InChIKey
DSPJJKVZWMBCCI-UHFFFAOYSA-N
Compound name
N-[[3-(aminomethyl)phenyl]methyl]-3-[[3-(aminomethyl)phenyl]methylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

326.21066 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21794 178.6
[M+Na]+ 349.19988 181.4
[M-H]- 325.20338 183.5
[M+NH4]+ 344.24448 190.6
[M+K]+ 365.17382 176.4
[M+H-H2O]+ 309.20792 169.1
[M+HCOO]- 371.20886 203.4
[M+CH3COO]- 385.22451 220.1
[M+Na-2H]- 347.18533 181.0
[M]+ 326.21011 175.4
[M]- 326.21121 175.4
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.