CID 3022553

93839-83-9

Structural Information

Molecular Formula
C16H24N4O2
SMILES
COC1=CC(=C(C=C1C(=O)NC(CC=C)C2CCCN2)N)N
InChI
InChI=1S/C16H24N4O2/c1-3-5-14(13-6-4-7-19-13)20-16(21)10-8-11(17)12(18)9-15(10)22-2/h3,8-9,13-14,19H,1,4-7,17-18H2,2H3,(H,20,21)
InChIKey
ZTZDCKKYIMXXCT-UHFFFAOYSA-N
Compound name
4,5-diamino-2-methoxy-N-(1-pyrrolidin-2-ylbut-3-enyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1899 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.197176 173.5
[M+Na]+ 327.179118 176.6
[M-H]- 303.182624 176.1
[M+NH4]+ 322.223723 186.5
[M+K]+ 343.153058 172.4
[M+H-H2O]+ 287.187160 165.0
[M+HCOO]- 349.188101 192.9
[M+CH3COO]- 363.203751 210.4
[M+Na-2H]- 325.164566 170.7
[M]+ 304.18935142 167.0
[M]- 304.19044858 167.0
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.